 Entering Gaussian System, Link 0=g16
 Input=10_L-serine_conformer01_STD_B3LYPDBJ_def2SVPD.in
 Output=10_L-serine_conformer01_STD_B3LYPDBJ_def2SVPD.log
 AtFile(1): /user/pierpa/basis_sets/def2SVPD.gbs
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                  0.28148150384D-01      1.0000000
            D    4   1.00
                 19.240334928            0.27039082144D-01
                  5.1178995899           0.13803684743
                  1.6554278827           0.34869086403
                  0.54016355610          0.48594185717
            D    1   1.00
                  0.16211214518           .34374449689
            F    1   1.00
                  0.3450000              1.0000000
            ****
            -Ti     0
            S    6   1.00
              42961.5121850              0.39127635355D-02
               6450.9759169              0.29969820489D-01
               1467.7210915              0.14836352707
                414.20997355             0.51347285324
                134.48715840             1.0335365483
                 46.122209796            0.77854233930
            S    3   1.00
                 89.447762543           -0.28385401259
                 10.223346060            1.6772785333
                  4.1353774271           1.2411928456
            S    3   1.00
                  6.7896181452          -0.78399994518D-02
                  1.1106730691           0.25495493019D-01
                  0.47565975578          0.16061172892D-01
            S    1   1.00
                  0.65986956934D-01      1.0000000
            S    1   1.00
                  0.25210342250D-01      1.0000000
            P    5   1.00
                522.03684782             0.19754179642D-01
                122.68649489             0.14460677619
                 38.572903611            0.54669004165
                 13.672169319            1.0531647540
                  5.0118529359           0.69111213363
            P    3   1.00
                  2.4131928282           0.75803437136
                  0.93252270050          1.3036241399
                  0.35429058390          0.53638653300
            P    1   1.00
                  0.1015610              1.0000000
            P    1   1.00
                  0.35788253200D-01      1.0000000
            D    4   1.00
                 23.465125957            0.26536380115D-01
                  6.3332593832           0.13796453963
                  2.0766489946           0.35312644228
                  0.69027361954          0.48647124166
            D    1   1.00
                  0.21088738554           .33026314258
            F    1   1.00
                  0.5620000              1.0000000
            ****
            -V     0
            S    6   1.00
              47160.3760600              0.14498688908D-02
               7081.4110871              0.11106435251D-01
               1611.1621223              0.55005423585D-01
                454.72940551             0.19060252591
                147.71321208             0.38435022957
                 50.699538950            0.29095546792
            S    3   1.00
                 98.262492669           -0.10942337856
                 11.294293099            0.64539490399
                  4.5853360105           0.47117880777
            S    3   1.00
                  7.6359689588          -0.22454949054
                  1.2539836689           0.72594852764
                  0.53271935387          0.45560582748
            S    1   1.00
                  0.72246239566D-01      1.0000000
            S    1   1.00
                  0.27358087448D-01      1.0000000
            P    5   1.00
                580.55044988             0.97315110917D-02
                136.52341127             0.71531241137D-01
                 42.983958820            0.27197688414
                 15.282798763            0.52618988893
                  5.6202495154           0.34452533498
            P    3   1.00
                  2.7485386415           0.34040396496
                  1.0618550073           0.57983996120
                  0.40235518645          0.23911643083
            P    1   1.00
                  0.1112480              1.0000000
            P    1   1.00
                  0.35000888460D-01      1.0000000
            D    4   1.00
                 27.358434017            0.26641927050D-01
                  7.4540604253           0.13995311726
                  2.4633917847           0.35751066639
                  0.82480925277          0.48488354148
            D    1   1.00
                  0.25257904742           .32332844995
            F    1   1.00
                  0.8310000              1.0000000
            ****
            -Cr     0
            S    6   1.00
              51528.0863490              0.14405823106D-02
               7737.2103487              0.11036202287D-01
               1760.3748470              0.54676651806D-01
                496.87706544             0.18965038103
                161.46520598             0.38295412850
                 55.466352268            0.29090050668
            S    3   1.00
                107.54732999            -0.10932281100
                 12.408671897            0.64472599471
                  5.0423628826           0.46262712560
            S    3   1.00
                  8.5461640165          -0.22711013286
                  1.3900441221           0.73301527591
                  0.56066602876          0.44225565433
            S    1   1.00
                  0.71483705972D-01      1.0000000
            S    1   1.00
                  0.28250687604D-01      1.0000000
            P    5   1.00
                640.48536096             0.96126715203D-02
                150.69711194             0.70889834655D-01
                 47.503755296            0.27065258990
                 16.934120165            0.52437343414
                  6.2409680590           0.34107994714
            P    3   1.00
                  3.0885463206           0.33973986903
                  1.1791047769           0.57272062927
                  0.43369774432          0.24582728206
            P    1   1.00
                  0.1206750              1.0000000
            P    1   1.00
                  0.33978554488D-01      1.0000000
            D    4   1.00
                 27.559479426            0.30612488044D-01
                  7.4687020327           0.15593270944
                  2.4345903574           0.36984421276
                  0.78244754808          0.47071118077
            D    1   1.00
                  0.21995774311           .33941649889
            F    1   1.00
                  1.1470000              1.0000000
            ****
            -Mn     0
            S    6   1.00
              56137.0090370              0.14321304702D-02
               8429.2063943              0.10972509162D-01
               1917.8277233              0.54382468712D-01
                541.36230198             0.18884335129
                176.00069142             0.38198025054
                 60.500477010            0.29156772596
            S    3   1.00
                117.17282882            -0.10933661328
                 13.596973368            0.64305039431
                  5.5483996341           0.45848970584
            S    3   1.00
                  9.4662853530          -0.22538977259
                  1.5595006070           0.72307758657
                  0.65230205868          0.45300721536
            S    1   1.00
                  0.84003734475D-01      1.0000000
            S    1   1.00
                  0.31256098581D-01      1.0000000
            P    5   1.00
                706.00497535             0.95055518167D-02
                166.19728820             0.70356271142D-01
                 52.452061906            0.27005556982
                 18.746932862            0.52574344602
                  6.9282991622           0.34254033223
            P    3   1.00
                  3.4772204938           0.33994073736
                  1.3406906449           0.57203836254
                  0.50498803038          0.23847605831
            P    1   1.00
                  0.1276500              1.0000000
            P    1   1.00
                  0.36336999053D-01      1.0000000
            D    4   1.00
                 35.423264935            0.26985304111D-01
                  9.7814221451           0.14383458648
                  3.2673488767           0.36418958377
                  1.1026472189           0.48152670661
            D    1   1.00
                  0.33743205934           .31458754360
            F    1   1.00
                  1.3260000              1.0000000
            ****
            -Fe     0
            S    6   1.00
              60923.6406430              0.14302254466D-02
               9147.8893982              0.10958790038D-01
               2081.3505927              0.54332554248D-01
                587.55977067             0.18884995009
                191.09043990             0.38253069946
                 65.732730112            0.29308335984
            S    3   1.00
                127.25891928            -0.10964564925
                 14.830913010            0.64387631332
                  6.0653307408           0.45472347323
            S    3   1.00
                 10.449943710           -0.22539639952
                  1.7245228003           0.72164398156
                  0.71772177325          0.44985492922
            S    1   1.00
                  0.91449828308D-01      1.0000000
            S    1   1.00
                  0.33706691021D-01      1.0000000
            P    5   1.00
                773.43750995             0.94325735144D-02
                182.15149714             0.70029620575D-01
                 57.547272758            0.26993651996
                 20.614988935            0.52700011047
                  7.6348557890           0.34284148028
            P    3   1.00
                  3.8719327990           0.33974402988
                  1.4924724132           0.56842594005
                  0.56061284958          0.23649365839
            P    1   1.00
                  0.1349150              1.0000000
            P    1   1.00
                  0.36933633962D-01      1.0000000
            D    4   1.00
                 38.968133419            0.27879664382D-01
                 10.800067078            0.14858319982
                  3.6136457999           0.36905479496
                  1.2129967888           0.47745100883
            D    1   1.00
                  0.36524393170           .31418142304
            F    1   1.00
                  1.5980000              1.0000000
            ****
            -Co     0
            S    6   1.00
              65902.2082570              0.14284614936D-02
               9895.3896027              0.10946072783D-01
               2251.4305789              0.54285953890D-01
                635.61097084             0.18885179079
                206.78820681             0.38301634994
                 71.179242971            0.29443551266
            S    3   1.00
                137.77268040            -0.10990221736
                 16.118079243            0.64455537395
                  6.6030327710           0.45116787924
            S    3   1.00
                 11.479915788           -0.22593846910
                  1.8956426324           0.72231409008
                  0.78466232067          0.44903812296
            S    1   1.00
                  0.98425774432D-01      1.0000000
            S    1   1.00
                  0.35945741932D-01      1.0000000
            P    5   1.00
                843.64358575             0.93866097254D-02
                198.76386994             0.69880208716D-01
                 62.854963098            0.27037070345
                 22.562842280            0.52904786880
                  8.3713209127           0.34357029579
            P    3   1.00
                  4.2858719800           0.34027999036
                  1.6508041817           0.56693392384
                  0.61834231096          0.23617979783
            P    1   1.00
                  0.1413080              1.0000000
            P    1   1.00
                  0.37744197011D-01      1.0000000
            D    4   1.00
                 42.927867612            0.28487788365D-01
                 11.942533053            0.15206951283
                  4.0046495664           0.37310913999
                  1.3413193804           0.47549837676
            D    1   1.00
                  0.40015009743           .31346831424
            F    1   1.00
                  1.9030000              1.0000000
            ****
            -Ni     0
            S    6   1.00
              71074.8032110              0.14260386729D-02
              10672.0209410              0.10928236994D-01
               2428.1389007              0.54212626938D-01
                685.53595148             0.18874768902
                223.10072863             0.38324616985
                 76.842014042            0.29550637144
            S    3   1.00
                148.71122016            -0.11014443059
                 17.459154987            0.64521426988
                  7.1625280665           0.44797838103
            S    3   1.00
                 12.556137125           -0.22645403224
                  2.0735740488           0.72320959286
                  0.85382640602          0.44868026476
            S    1   1.00
                  0.10536766271          1.0000000
            S    1   1.00
                  0.38134087688D-01      1.0000000
            P    5   1.00
                916.73608662             0.93439635610D-02
                216.06139913             0.69737374902D-01
                 68.383914817            0.27073495012
                 24.593843952            0.53078301549
                  9.1392960204           0.34410229438
            P    3   1.00
                  4.7193371746           0.34076082016
                  1.8161849234           0.56580169611
                  0.67840750720          0.23616717361
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.38905548722D-01      1.0000000
            D    4   1.00
                 47.093832108            0.28982316948D-01
                 13.146463975            0.15494995950
                  4.4170548925           0.37633115111
                  1.4771565078           0.47365096014
            D    1   1.00
                  0.43735921792           .31247837833
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    6   1.00
              76381.3480560              0.14336079896D-02
              11468.7774990              0.10986749865D-01
               2609.4246495              0.54513652465D-01
                736.75033098             0.18990128258
                239.82419958             0.38581959211
                 82.656829252            0.29790607498
            S    3   1.00
                160.13544196            -0.11146778567
                 18.834177695            0.65349301031
                  7.7176595741           0.44770534421
            S    3   1.00
                 13.710846717           -0.22870911122
                  2.2349895670           0.73464423031
                  0.87818360069          0.43273070874
            S    1   1.00
                  0.87187458064D-01      1.0000000
            S    1   1.00
                  0.32969114665D-01      1.0000000
            P    5   1.00
                991.24075782             0.93878498798D-02
                233.69376116             0.70208282458D-01
                 74.020930927            0.27323522220
                 26.664967447            0.53580792728
                  9.9192087478           0.34575794906
            P    3   1.00
                  5.1519553926           0.34229108083
                  1.9638205828           0.56456592484
                  0.71560097037          0.24078584318
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.38734214974D-01      1.0000000
            D    4   1.00
                 47.335049590            0.32375547758D-01
                 13.161666077            0.16810218684
                  4.3693777244           0.38477707982
                  1.4132925109           0.46147880178
            D    1   1.00
                  0.38878001452           .32388873258
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    6   1.00
              82000.7116290              0.14210764000D-02
              12312.4717770              0.10891499487D-01
               2801.3944193              0.54057188059D-01
                790.99424302             0.18847463904
                257.56551079             0.38346549346
                 88.814933400            0.29723794197
            S    3   1.00
                171.86353716            -0.11051849523
                 20.302534785            0.64607716984
                  8.3464123068           0.44220117322
            S    3   1.00
                 14.847536940           -0.22705309278
                  2.4495029507           0.72433217935
                  0.99845821824          0.44836495592
            S    1   1.00
                  0.11891307937          1.0000000
            S    1   1.00
                  0.42297428760D-01      1.0000000
            P    5   1.00
               1071.5185372              0.92767797235D-02
                252.69712152             0.69541149434D-01
                 80.100829126            0.27156772564
                 28.903393172            0.53401355573
                 10.768899879            0.34501323446
            P    3   1.00
                  5.6446212530           0.34129600164
                  2.1678291347           0.56390521973
                  0.80540898341          0.23676109735
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.42022716037D-01      1.0000000
            D    4   1.00
                 56.088939191            0.29588869140D-01
                 15.751908917            0.158725714045
                  5.3115812367           0.379762291591
                  1.7737904917           0.468989591719
            D    1   1.00
                  0.51975583665           .309071490776
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    6   1.00
              87842.1262960              0.14271588798D-02
              13189.4964020              0.10938894097D-01
               3000.9482141              0.54308200127D-01
                847.38425966             0.18951055983
                276.00980642             0.38615185918
                 95.216672071            0.30051082719
            S    3   1.00
                184.00703968            -0.11124461963
                 21.827051433            0.64831322918
                  9.0026963761           0.44358383594
            S    3   1.00
                 16.033176938           -0.23014299555
                  2.6707724878           0.72946861516
                  1.1252834170           0.46214976951
            S    1   1.00
                  0.15967608829          1.0000000
            S    1   1.00
                  0.57643044753D-01      1.0000000
            S    1   1.00
                  0.31819812628D-01      1.0000000
            P    5   1.00
               1167.2665844              0.90974021307D-02
                275.38062789             0.68456273343D-01
                 87.375073070            0.26922293888
                 31.597254670            0.53507897882
                 11.824122798            0.35279062760
            P    3   1.00
                  6.2881845133           0.33938244530
                  2.5199853240           0.56871947608
                  1.0169726306           0.27717694939
            P    1   1.00
                  0.24748373604          1.0000000
            P    1   1.00
                  0.66685294163D-01      1.0000000
            D    4   1.00
                 65.354237674            0.27370146382D-01
                 18.504656747            0.15099463976
                  6.3179620632           0.37485328545
                  2.1641389426           0.47510606851
            D    1   1.00
                  0.66693092754           .29843287401
            D    1   1.00
                  0.2070000              1.0000000
            D    1   1.00
                  0.49799390975D-01      1.0000000
            ****
            -Ge     0
            S    6   1.00
              93889.8366420              0.14233976060D-02
              14097.4975280              0.10910795654D-01
               3207.5477309              0.54183705943D-01
                905.76727269             0.18922820349
                295.11014693             0.38612847001
                101.84713141             0.30164050736
            S    3   1.00
                196.56719662            -0.11118770940
                 23.405292522            0.64616007369
                  9.6839116702           0.44188904568
            S    3   1.00
                 17.269736544           -0.23027421375
                  2.8964622160           0.73017169398
                  1.2553621412           0.46197222255
            S    1   1.00
                  0.20213081492          1.0000000
            S    1   1.00
                  0.73867910982D-01      1.0000000
            S    1   1.00
                  0.43410224935D-01      1.0000000
            P    5   1.00
               1259.2085995              0.90115464252D-02
                297.15626382             0.67986841689D-01
                 94.353387522            0.26853856488
                 34.176329677            0.53659649219
                 12.816139615            0.35633514961
            P    3   1.00
                  6.8471029784           0.33900693119
                  2.7717363939           0.56809365264
                  1.1458418175           0.27246539884
            P    1   1.00
                  0.30679631536          1.0000000
            P    1   1.00
                  0.89283644115D-01      1.0000000
            D    4   1.00
                 74.782168177            0.25755860205D-01
                 21.310849759            0.14536816132
                  7.3464792363           0.37134209859
                  2.5656271395           0.48002998436
            D    1   1.00
                  0.81981773070           .28978790744
            D    1   1.00
                  0.2460000              1.0000000
            D    1   1.00
                  0.66328328796D-01      1.0000000
            ****
            -As     0
            S    6   1.00
             100146.5255400              0.14258349617D-02
              15036.8617110              0.10930176963D-01
               3421.2902833              0.54294174610D-01
                966.16965717             0.18976078153
                314.87394026             0.38775195453
                108.70823790             0.30402812040
            S    3   1.00
                209.54238950            -0.11162094204
                 25.038221139            0.64697607762
                 10.390964343            0.44223608673
            S    3   1.00
                 18.555090093           -0.22994190569
                  3.1281217449           0.73319107613
                  1.3884885073           0.45533653943
            S    1   1.00
                  0.24714362141          1.0000000
            S    1   1.00
                  0.91429428670D-01      1.0000000
            S    1   1.00
                  0.55939685220D-01      1.0000000
            P    5   1.00
               1355.6443507              0.89182507898D-02
                319.99929270             0.67454750717D-01
                101.67734092             0.26759772110
                 36.886323845            0.53776844520
                 13.861115909            0.35992570244
            P    3   1.00
                  7.4260666912           0.34036849637
                  3.0316247187           0.57030149334
                  1.2783078340           0.26606170238
            P    1   1.00
                  0.37568503356          1.0000000
            P    1   1.00
                  0.11394805454          1.0000000
            D    4   1.00
                 84.445514539            0.24518402724D-01
                 24.190416102            0.14107454677
                  8.4045015119           0.36875228915
                  2.9808970748           0.48409561362
            D    1   1.00
                  0.97909243359           .28250268781
            D    1   1.00
                  0.2930000              1.0000000
            D    1   1.00
                  0.84097628016D-01      1.0000000
            ****
            -Se     0
            S    6   1.00
             106612.2002700              0.14274889113D-02
              16007.6047010              0.10943525114D-01
               3642.1699707              0.54374171596D-01
               1028.5912993              0.19018092947
                335.30298888             0.38913021696
                115.80129154             0.30620207088
            S    3   1.00
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            ****
            -Sb     0
            S    6   1.00
                372.76139166             0.15878057239D-02
                 22.689478596           -0.15027605583
                 18.391547037            0.35915813039
                  7.6406271414          -0.74805091065
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            S    2   1.00
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            S    1   1.00
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                 10.052739237           -0.41511149340
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            P    1   1.00
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            P    1   1.00
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                 18.504059617           -0.54952972010D-02
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                  1.7142196009           0.51273377761
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            D    1   1.00
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            ****
            -Te     0
            S    6   1.00
                396.47954659             0.26307731203D-02
                 21.919773309           -0.13203517066
                 18.061271390            0.36203197834
                  8.1403463241          -0.75591120276
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            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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                 10.433943171           -0.41205302672
                  1.3623024763           0.78760578076
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 18.884095378           -0.35221408938D-02
                  4.2527304630           0.28254216065
                  1.8757557092           0.52039372916
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            D    1   1.00
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            D    1   1.00
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            ****
            -I     0
            S    6   1.00
                445.90489176             0.20037290389D-02
                 23.336842412           -0.14989397324
                 19.583446104            0.36436474913
                  8.5112089186          -0.75538138199
                  2.1996161861           0.82816359356
                  1.0668970454           0.42161048110
            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 20.499027254            0.77159335656D-01
                 10.558754576           -0.38370372780
                  1.5015895485           0.83554174719
                  0.64597173095          0.16787259488
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 51.235354920            0.40345130346D-02
                 15.616239482           -0.50768108881D-02
                  4.5266002139           0.29151065356
                  2.0529808766           0.51145783605
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            D    1   1.00
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            D    1   1.00
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            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
                 23.012587807           -0.14698707182
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            S    2   1.00
                 11.752550163            0.66038420156
                  6.2390917199           0.38470524721
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 13.960683826           -0.50950157807D-01
                  4.0928947097           0.36669211800
                  2.2546815460           0.72619456861
                  1.1546596184           0.35555871740
            P    3   1.00
                193.81432545             0.95394802497D-03
                 21.725228086            0.57393353332D-01
                  9.8891605641          -0.27974266640
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    6   1.00
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                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
                  5.2602537686           0.22890785589
                  2.6590627424           0.44434407051
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            D    1   1.00
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            ****
            -Cs     0
            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
                  1.8048475155           0.69930637051
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  1.9656663360          -0.25019961976
                  0.47689195212          0.55660850066
                  0.21529749588          0.58218553406
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    1   1.00
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            D    1   1.00
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            ****
            -Ba     0
            S    3   1.00
                  2.3961900000          -5.9554766710
                  2.2433050000           6.6805648241
                  0.71740200000         -0.57055347037
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.5207180000          -1.0707548832
                  0.67578180854          0.34940781448
                  0.31985844531          0.65041110673
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.1038910              0.4732600
            D    1   1.00
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            F    4   1.00
                 10.00                   0.073
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                  1.00                   0.350
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            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44173707857
                  4.2709780000           0.85812489720
            S    1   1.00
                  2.1823803999           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.3820950000           0.51718364643673D+00
                  0.67246658081         -0.44823115995325D+00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.89049882672          0.25137236211233D+00
                  0.32947291040          0.44604068239531D+00
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            D    1   1.00
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            ****
            -Hf     0
            S    2   1.00
                 14.592485000           -0.80196298812
                 11.547491000            1.5261602829
            S    1   1.00
                  4.9112973928           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  5.9599790000          -0.83713508620273
                  1.0921117054           0.50570506286223
                  0.49702823217          0.51965388690539
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  1.3077987772           0.18409232564002
                  0.53272310298          0.41484423515705
                  0.20564954488          0.44224303496859
            D    1   1.00
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            F    1   1.00
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            ****
            -Ta     0
            S    2   1.00
                 14.400000000            0.99343296745
                 12.000000000           -1.6510077975
            S    1   1.00
                  5.0701477302           1.0000000
            S    1   1.00
                  0.86033356487          1.0000000
            S    1   1.00
                  0.37158938894          1.0000000
            S    1   1.00
                  0.10745336254          1.0000000
            S    1   1.00
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                  5.6984100000          -0.46968874449
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                  0.54478533555          0.52298161137
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.61042908544          0.42959071631
                  0.24216276510          0.43497228231503D+00
            D    1   1.00
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            ****
            -W     0
            S    2   1.00
                 15.000000000           -0.53315505392
                 12.000000000            1.0014141748
            S    1   1.00
                  5.2610967725           1.0000000
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                  0.11585976646          1.0000000
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                  6.0848760000          -0.66720686321
                  1.2523777812           0.52090351989
                  0.58569208922          0.51885687511
            P    1   1.00
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            D    4   1.00
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                  0.69187452392          0.44121676843
                  0.27865835325          0.43158409241461D+00
            D    1   1.00
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            ****
            -Re     0
            S    2   1.00
                 14.781862000           -1.1395193885
                 12.324075000            1.9371421121
            S    1   1.00
                  5.5098597284           1.0000000
            S    1   1.00
                  0.98874104687          1.0000000
            S    1   1.00
                  0.42833312030          1.0000000
            S    1   1.00
                  0.12296804533          1.0000000
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            P    4   1.00
                  7.4040050000           0.54510937865
                  6.3502060000          -0.76096056536
                  1.3311713455           0.53252276765
                  0.62659600547          0.51483045040
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.78702048429          0.45160766937
                  0.32069843172          0.43261236265745D+00
            D    1   1.00
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                  0.4898900              1.0000000
            ****
            -Os     0
            S    2   1.00
                 15.286736000           -1.0647114485
                 12.700638000            1.8433193269
            S    1   1.00
                  5.7094832504           1.0000000
            S    1   1.00
                  1.0689228744           1.0000000
            S    1   1.00
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            S    1   1.00
                  0.13253456992          1.0000000
            S    1   1.00
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            P    4   1.00
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                  6.3036410000          -0.56379438345
                  1.4351579676           0.52360040577
                  0.68442749722          0.52445339821
            P    1   1.00
                  0.28347394974          1.0000000
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
                  3.5808150000          -0.42773932262
                  3.1961650000           0.44501403992
                  1.0550226354           0.43689459722
                  0.41588406618          0.48220605798770D+00
            D    1   1.00
                  0.14653507868          1.0000000
            F    1   1.00
                  0.5506500              1.0000000
            ****
            -Ir     0
            S    2   1.00
                 15.293709000           -1.6731899791
                 13.573682000            2.3934378976
            S    1   1.00
                  5.8213436542           1.0000000
            S    1   1.00
                  1.1520364268           1.0000000
            S    1   1.00
                  0.51104895338          1.0000000
            S    1   1.00
                  0.14084043578          1.0000000
            S    1   1.00
                  0.49828673085D-01      1.0000000
            P    4   1.00
                  8.6697960000           0.21469187346391
                  6.2456140000          -0.44863071815131
                  1.5657036153           0.50653393256771
                  0.75577412863          0.54052273352337
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.3617430000           0.56835425804006
                  1.1177053710           0.44304381513032
                  0.44322534858          0.47078394930144
            D    1   1.00
                  0.15641305125          1.0000000
            F    1   1.00
                  0.6100800              1.0000000
            ****
            -Pt     0
            S    2   1.00
                 16.559563000           -0.53808800717
                 13.892440000            0.91402161377
            S    1   1.00
                  5.8531044732           1.0000000
            S    1   1.00
                  1.2498640609           1.0000000
            S    1   1.00
                  0.55606439459          1.0000000
            S    1   1.00
                  0.13793093812          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.2000000000          -0.95441807252
                  1.5588402917           0.57140490320
                  0.73230402180          0.49508234268
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.93629991261          0.46533857641
                  0.37160028160          0.41129165525
            D    1   1.00
                  0.13155928617          1.0000000
            F    1   1.00
                  0.6681300              1.0000000
            ****
            -Au     0
            S    2   1.00
                 20.115299000           -0.15910719389
                 12.193477000            0.79105526778
            S    1   1.00
                  6.0735294368           1.0000000
            S    1   1.00
                  1.3174451569           1.0000000
            S    1   1.00
                  0.58596768244          1.0000000
            S    1   1.00
                  0.13875427354          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.3353260000          -0.72681584494
                  1.6575296365           0.57315511417
                  0.78159310216          0.49579068859
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.5682570000           0.40197233762
                  1.2345757130           0.46001988624
                  0.48190232338          0.46152130957882D+00
            D    1   1.00
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            F    1   1.00
                  0.7248200              1.0000000
            ****
            -Hg     0
            S    2   1.00
                 26.842049000           -0.26845096483D-01
                 10.320909000            0.81771278143
            S    1   1.00
                  6.3656242291           1.0000000
            S    1   1.00
                  1.3898932095           1.0000000
            S    1   1.00
                  0.63706742699          1.0000000
            S    1   1.00
                  0.16047725098          1.0000000
            S    1   1.00
                  0.56410423453D-01      1.0000000
            P    4   1.00
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                  7.1690950000          -0.44026342153
                  1.7559567931           0.58406314464
                  0.83145670425          0.49359746203
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.4800000000           0.37748470203231
                  1.2535869926           0.48342275878173
                  0.50841366863          0.43493523158359
            D    1   1.00
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            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    6   1.00
                 45.356924655            0.50938157397D-02
                 20.278843336           -0.14805704314
                 14.420612394            0.36768453564
                  6.2161909754          -0.66820394623
                  1.5002511178           0.96232806743
                  0.76330879305          0.33175999361
            S    2   1.00
                  7.8193195283          -0.18828631537D-01
                  1.3176904042           0.32093431467
            S    1   1.00
                  0.17643545481          1.0000000
            S    1   1.00
                  0.65296835238D-01      1.0000000
            S    1   1.00
                  0.24592841139D-01      1.0000000
            P    4   1.00
                  9.0323058024           0.22738839085
                  7.5356419671          -0.35117975889
                  1.0521421998           0.25690085604
                  0.50303932656          0.84549942764D-01
            P    1   1.00
                  2.0067660913           1.0000000
            P    1   1.00
                  0.16675605056          1.0000000
            P    1   1.00
                  0.48596401464D-01      1.0000000
            D    5   1.00
                  9.4421940760           0.58250776986D-01
                  7.4410003381          -0.11789199301
                  1.9831617772           0.34232057636
                  0.91671748567          0.47557282350
                  0.39647207885          0.30528029435
            D    1   1.00
                  0.15500000000          1.0000000
            D    1   1.00
                  0.39237960293D-01      1.0000000
            ****
            -Pb     0
            S    6   1.00
                 55.727520333            0.29681153058D-02
                 20.302912827           -0.14352634362
                 14.558628750            0.37554188507
                  6.5370530973          -0.67253099800
                  1.5933900686           0.95887533909
                  0.83051419711          0.32593632538
            S    2   1.00
                  8.0719473648          -0.20412061217D-01
                  1.4165737490           0.32865829049
            S    1   1.00
                  0.20418933370          1.0000000
            S    1   1.00
                  0.77159007761D-01      1.0000000
            S    1   1.00
                  0.33059793391D-01      1.0000000
            P    4   1.00
                  9.5531412199           0.20542943990
                  7.5327685129          -0.36407590058
                  1.1185539567           0.32217481686
                  0.53739855255          0.96677743015D-01
            P    1   1.00
                  2.1359869828           1.0000000
            P    1   1.00
                  0.20027494801          1.0000000
            P    1   1.00
                  0.63408011513D-01      1.0000000
            D    5   1.00
                 13.494505735            0.11571042371D-01
                  7.0609770411          -0.66746645076D-01
                  2.1581835375           0.33978760942
                  1.0148541418           0.48523039273
                  0.44632672920          0.29682924018
            D    1   1.00
                  0.17500000000          1.0000000
            D    1   1.00
                  0.50585085346D-01      1.0000000
            ****
            -Bi     0
            S    6   1.00
                175.19632102             0.80278879028D-03
                 19.820147783           -0.14624461250
                 14.960110102            0.37435719885
                  6.7065785571          -0.68476017748
                  1.7391967524           0.90967322081
                  0.94504730591          0.38695797807
            S    2   1.00
                  8.4636832909          -0.20037183144D-01
                  1.5317838545           0.31054408682
            S    1   1.00
                  0.23405391503          1.0000000
            S    1   1.00
                  0.90268814613D-01      1.0000000
            S    1   1.00
                  0.41577775054D-01      1.0000000
            P    4   1.00
                 10.672046293            0.14391258793
                  7.1992185915          -0.37994608603
                  1.5359697528           0.53268032065
                  0.72201275727          0.23037698678
            P    1   1.00
                  2.8508661858           1.0000000
            P    1   1.00
                  0.23769418731          1.0000000
            P    1   1.00
                  0.78768140453D-01      1.0000000
            D    5   1.00
                 15.834273510            0.85062993231D-02
                  7.0956896087          -0.65954380016D-01
                  2.3363137007           0.33707163406
                  1.1208861366           0.49128719933
                  0.50309487376          0.29095930644
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.62256480090D-01      1.0000000
            ****
            -Po     0
            S    6   1.00
                278.13783916             0.91690497839D-03
                 19.659291105           -0.14713009283
                 15.016229647            0.38790413631
                  7.1149978720          -0.67059966298
                  1.7879214122           0.91212928327
                  0.94021655206          0.29153755200
            S    2   1.00
                  8.7584161749          -0.21561417525D-01
                  1.6503945866           0.31638990001
            S    1   1.00
                  0.26329582133          1.0000000
            S    1   1.00
                  0.10190654304          1.0000000
            S    1   1.00
                  0.36854928339D-01      1.0000000
            P    4   1.00
                 10.445945973            0.23631841405
                  8.0293101888          -0.45017818996
                  1.3588798023           0.44160334658
                  0.66829182929          0.14575285544
            P    1   1.00
                  2.4460635387           1.0000000
            P    1   1.00
                  0.27242942777          1.0000000
            P    1   1.00
                  0.88796031338D-01      1.0000000
            P    1   1.00
                  0.24278917089D-01      1.0000000
            D    5   1.00
                 18.292670150            0.72030963652D-02
                  7.1695578539          -0.66160544754D-01
                  2.5029225180           0.34363449378
                  1.2115945443           0.50529101033
                  0.54713334240          0.28301155453
            D    1   1.00
                  0.21500000000          1.0000000
            D    1   1.00
                  0.60680939679D-01      1.0000000
            ****
            -At     0
            S    6   1.00
                303.23376176             0.63504969788D-03
                 20.289449240           -0.13823165350
                 15.383783126            0.38333193283
                  7.4702184232          -0.66837560338
                  1.8731608346           0.91545877992
                  0.97426847543          0.25559567998
            S    2   1.00
                  8.9610112498          -0.23092977605D-01
                  1.7804284294           0.31690635939
            S    1   1.00
                  0.29269461143          1.0000000
            S    1   1.00
                  0.11395353119          1.0000000
            S    1   1.00
                  0.42558321816D-01      1.0000000
            P    4   1.00
                 10.722023134            0.26194870008
                  8.4823338656          -0.46607228264
                  1.3474291294           0.42119853309
                  0.62824011467          0.10643224457
            P    1   1.00
                  2.4814896839           1.0000000
            P    1   1.00
                  0.31036518470          1.0000000
            P    1   1.00
                  0.10144862043          1.0000000
            P    1   1.00
                  0.26996558228D-01      1.0000000
            D    5   1.00
                 20.799819604            0.65227965381D-02
                  7.1664616770          -0.67780885217D-01
                  2.6934397048           0.33954991335
                  1.3175112423           0.50899559178
                  0.59997066293          0.27526771759
            D    1   1.00
                  0.23500000000          1.0000000
            D    1   1.00
                  0.67929272623D-01      1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/B3LYPDBJ_def2SVPD/Gau-95960.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/B3LYPDBJ_def2SVPD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     95977.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                12-Aug-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=40GB
 %chk=10_L-serine_conformer01_STD_B3LYPDBJ_def2SVPD
 ----------------------------------------------------------------------
 #P B3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoS
 ymm,MaxCyc=120) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-5,75=-5,116=-2,124=41/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Aug 12 20:21:07 2021, MaxMem=  5368709120 cpu:               0.6 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "10_L-serine_conformer01_STD_B3LYPDBJ_def2SVPD.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 1.400902000000      0.606476000000      0.330203000000
  C                                                 0.023343000000      0.604862000000     -0.347509000000
  C                                                -0.733110000000     -0.696797000000     -0.043039000000
  O                                                -2.048935000000     -0.547476000000      0.094953000000
  O                                                 2.244705000000     -0.411378000000     -0.147633000000
  N                                                -0.823363000000      1.751312000000     -0.004429000000
  O                                                -0.187475000000     -1.769200000000      0.050668000000
  H                                                 0.182702000000      0.606179000000     -1.429434000000
  H                                                 1.891186000000      1.559018000000      0.119143000000
  H                                                 1.257893000000      0.539142000000      1.419890000000
  H                                                -2.208899000000      0.421463000000      0.023461000000
  H                                                -0.669033000000      2.051352000000      0.952422000000
  H                                                -0.651577000000      2.542659000000     -0.609638000000
  H                                                 1.748102000000     -1.241813000000     -0.066668000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     14 NQM=       14 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          16          16          14          16           1           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  15.9949146  15.9949146  14.0030740  15.9949146   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           0           0           2           0           1           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   5.6000000   5.6000000   4.5500000   5.6000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.0440000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.4037610   0.0000000   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   8.0000000   8.0000000   7.0000000   8.0000000   1.0000000   1.0000000   1.0000000

  Atom        11          12          13          14
 IAtWgt=           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.088559
 Leave Link  101 at Thu Aug 12 20:21:07 2021, MaxMem=  5368709120 cpu:               0.8 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        1.400902    0.606476    0.330203
      2          6           0        0.023343    0.604862   -0.347509
      3          6           0       -0.733110   -0.696797   -0.043039
      4          8           0       -2.048935   -0.547476    0.094953
      5          8           0        2.244705   -0.411378   -0.147633
      6          7           0       -0.823363    1.751312   -0.004429
      7          8           0       -0.187475   -1.769200    0.050668
      8          1           0        0.182702    0.606179   -1.429434
      9          1           0        1.891186    1.559018    0.119143
     10          1           0        1.257893    0.539142    1.419890
     11          1           0       -2.208899    0.421463    0.023461
     12          1           0       -0.669033    2.051352    0.952422
     13          1           0       -0.651577    2.542659   -0.609638
     14          1           0        1.748102   -1.241813   -0.066668
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.535241   0.000000
     3  C    2.528208   1.535982   0.000000
     4  O    3.645315   2.412051   1.331441   0.000000
     5  O    1.405830   2.450947   2.993290   4.302640   0.000000
     6  N    2.523882   1.465934   2.450076   2.606977   3.756431
     7  O    2.871396   2.416435   1.206875   2.227017   2.792580
     8  H    2.140171   1.093599   2.111528   2.938517   2.632545
     9  H    1.091907   2.148724   3.464381   4.467936   2.019556
    10  H    1.101092   2.156880   2.762571   3.724421   2.081926
    11  H    3.627531   2.270277   1.852804   0.984653   4.534036
    12  H    2.599895   2.064349   2.923589   3.064847   3.970520
    13  H    2.974017   2.068643   3.289644   3.463812   4.162719
    14  H    1.922037   2.542415   2.540475   3.863381   0.970975
                    6          7          8          9         10
     6  N    0.000000
     7  O    3.577904   0.000000
     8  H    2.086657   2.823147   0.000000
     9  H    2.724156   3.924609   2.494977   0.000000
    10  H    2.798154   3.048327   3.046174   1.770071   0.000000
    11  H    1.920673   2.980923   2.804421   4.256041   3.739319
    12  H    1.014596   3.954956   2.913283   2.737055   2.493662
    13  H    1.010949   4.386744   2.262309   2.822112   3.432075
    14  H    3.946531   2.009568   2.778972   2.810632   2.371067
                   11         12         13         14
    11  H    0.000000
    12  H    2.427075   0.000000
    13  H    2.706573   1.637595   0.000000
    14  H    4.293305   4.210228   4.513923   0.000000
 Stoichiometry    C3H7NO3
 Framework group  C1[X(C3H7NO3)]
 Deg. of freedom    36
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 5.69D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        1.400902    0.606476    0.330203
      2          6           0        0.023343    0.604862   -0.347509
      3          6           0       -0.733110   -0.696797   -0.043039
      4          8           0       -2.048935   -0.547476    0.094953
      5          8           0        2.244705   -0.411378   -0.147633
      6          7           0       -0.823363    1.751312   -0.004429
      7          8           0       -0.187475   -1.769200    0.050668
      8          1           0        0.182702    0.606179   -1.429434
      9          1           0        1.891186    1.559018    0.119143
     10          1           0        1.257893    0.539142    1.419890
     11          1           0       -2.208899    0.421463    0.023461
     12          1           0       -0.669033    2.051352    0.952422
     13          1           0       -0.651577    2.542659   -0.609638
     14          1           0        1.748102   -1.241813   -0.066668
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           3.6361596           2.3988948           1.5210373
 Leave Link  202 at Thu Aug 12 20:21:07 2021, MaxMem=  5368709120 cpu:               0.1 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       8      9     10     11     12     13     14
 S 3 1.00
     Exponent=  1.3010701000D+01 Coefficients=  1.9682158000D-02
     Exponent=  1.9622572000D+00 Coefficients=  1.3796524000D-01
     Exponent=  4.4453796000D-01 Coefficients=  4.7831935000D-01
 S 1 1.00
     Exponent=  1.2194962000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.1704099050D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3
 S 5 1.00
     Exponent=  1.2384016938D+03 Coefficients=  5.4568832082D-03
     Exponent=  1.8629004992D+02 Coefficients=  4.0638409211D-02
     Exponent=  4.2251176346D+01 Coefficients=  1.8025593888D-01
     Exponent=  1.1676557932D+01 Coefficients=  4.6315121755D-01
     Exponent=  3.5930506482D+00 Coefficients=  4.4087173314D-01
 S 1 1.00
     Exponent=  4.0245147363D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.3090182668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.7053540256D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  9.4680970621D+00 Coefficients=  3.8387871728D-02
     Exponent=  2.0103545142D+00 Coefficients=  2.1117025112D-01
     Exponent=  5.4771004707D-01 Coefficients=  5.1328172114D-01
 P 1 1.00
     Exponent=  1.5268613795D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1713185140D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       6
 S 5 1.00
     Exponent=  1.7128415853D+03 Coefficients= -5.3934125305D-03
     Exponent=  2.5764812677D+02 Coefficients= -4.0221581118D-02
     Exponent=  5.8458245853D+01 Coefficients= -1.7931144990D-01
     Exponent=  1.6198367905D+01 Coefficients= -4.6376317823D-01
     Exponent=  5.0052600809D+00 Coefficients= -4.4171422662D-01
 S 1 1.00
     Exponent=  5.8731856571D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.8764592253D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  9.6171241529D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  1.3571470233D+01 Coefficients= -4.0072398852D-02
     Exponent=  2.9257372874D+00 Coefficients= -2.1807045028D-01
     Exponent=  7.9927750754D-01 Coefficients= -5.1294466049D-01
 P 1 1.00
     Exponent=  2.1954348034D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.0000000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.6697708112D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       4      5      7
 S 5 1.00
     Exponent=  2.2661767785D+03 Coefficients= -5.3431809926D-03
     Exponent=  3.4087010191D+02 Coefficients= -3.9890039230D-02
     Exponent=  7.7363135167D+01 Coefficients= -1.7853911985D-01
     Exponent=  2.1479644940D+01 Coefficients= -4.6427684959D-01
     Exponent=  6.6589433124D+00 Coefficients= -4.4309745172D-01
 S 1 1.00
     Exponent=  8.0975975668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.5530772234D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.6572453250D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  1.7721504317D+01 Coefficients=  4.3394573193D-02
     Exponent=  3.8635505440D+00 Coefficients=  2.3094120765D-01
     Exponent=  1.0480920883D+00 Coefficients=  5.1375311064D-01
 P 1 1.00
     Exponent=  2.7641544411D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.9002276350D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.2000000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.7992024323D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   219 symmetry adapted cartesian basis functions of A   symmetry.
 There are   205 symmetry adapted basis functions of A   symmetry.
   205 basis functions,   303 primitive gaussians,   219 cartesian basis functions
    28 alpha electrons       28 beta electrons
       nuclear repulsion energy       327.0913727460 Hartrees.
 IExCor=  402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX=  0.200000
 ScaDFX=  0.800000  0.720000  1.000000  0.810000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=141
 NAtoms=   14 NActive=   14 NUniq=   14 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D3(BJ) Dispersion energy=       -0.0189636241 Hartrees.
 Nuclear repulsion after empirical dispersion term =      327.0724091220 Hartrees.
 Leave Link  301 at Thu Aug 12 20:21:08 2021, MaxMem=  5368709120 cpu:               4.2 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   205 RedAO= T EigKep=  5.60D-05  NBF=   205
 NBsUse=   205 1.00D-06 EigRej= -1.00D+00 NBFU=   205
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   219   219   219   219   219 MxSgAt=    14 MxSgA2=    14.
 Leave Link  302 at Thu Aug 12 20:21:08 2021, MaxMem=  5368709120 cpu:               1.2 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Aug 12 20:21:08 2021, MaxMem=  5368709120 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "10_L-serine_conformer01_STD_B3LYPDBJ_def2SVPD.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000   -0.000000    0.000000
         Rot=    1.000000   -0.000000   -0.000000   -0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Aug 12 20:21:08 2021, MaxMem=  5368709120 cpu:               1.3 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5368709120 LenX=  5368609234 LenY=  5368560832
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf= 990000000 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=         0 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -398.719373337464    
 DIIS: error= 3.24D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -398.719373337464     IErMin= 1 ErrMin= 3.24D-03
 ErrMax= 3.24D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.59D-03 BMatP= 9.59D-03
 IDIUse=3 WtCom= 9.68D-01 WtEn= 3.24D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.251 Goal=   None    Shift=    0.000
 GapD=    0.251 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=4.57D-03 MaxDP=1.20D-01              OVMax= 1.79D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  4.57D-03    CP:  1.01D+00
 E= -398.728016888831     Delta-E=       -0.008643551367 Rises=F Damp=F
 DIIS: error= 9.31D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -398.728016888831     IErMin= 2 ErrMin= 9.31D-04
 ErrMax= 9.31D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.05D-04 BMatP= 9.59D-03
 IDIUse=3 WtCom= 9.91D-01 WtEn= 9.31D-03
 Coeff-Com:  0.745D-01 0.925D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.738D-01 0.926D+00
 Gap=     0.253 Goal=   None    Shift=    0.000
 RMSDP=3.33D-04 MaxDP=9.90D-03 DE=-8.64D-03 OVMax= 7.65D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  2.95D-04    CP:  1.01D+00  1.03D+00
 E= -398.727809335413     Delta-E=        0.000207553418 Rises=F Damp=F
 DIIS: error= 1.24D-03 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -398.728016888831     IErMin= 2 ErrMin= 9.31D-04
 ErrMax= 1.24D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.47D-04 BMatP= 6.05D-04
 IDIUse=3 WtCom= 2.21D-01 WtEn= 7.79D-01
 Coeff-Com: -0.176D-01 0.562D+00 0.456D+00
 Coeff-En:   0.000D+00 0.581D+00 0.419D+00
 Coeff:     -0.389D-02 0.577D+00 0.427D+00
 Gap=     0.250 Goal=   None    Shift=    0.000
 RMSDP=1.46D-04 MaxDP=4.39D-03 DE= 2.08D-04 OVMax= 4.32D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  7.74D-05    CP:  1.01D+00  1.04D+00  6.04D-01
 E= -398.728483143850     Delta-E=       -0.000673808437 Rises=F Damp=F
 DIIS: error= 1.44D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -398.728483143850     IErMin= 4 ErrMin= 1.44D-04
 ErrMax= 1.44D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.39D-05 BMatP= 6.05D-04
 IDIUse=3 WtCom= 9.99D-01 WtEn= 1.44D-03
 Coeff-Com: -0.118D-01 0.281D+00 0.229D+00 0.502D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.118D-01 0.281D+00 0.228D+00 0.503D+00
 Gap=     0.250 Goal=   None    Shift=    0.000
 RMSDP=3.29D-05 MaxDP=1.01D-03 DE=-6.74D-04 OVMax= 7.91D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  3.00D-05    CP:  1.01D+00  1.04D+00  6.09D-01  9.39D-01
 E= -398.728495611103     Delta-E=       -0.000012467253 Rises=F Damp=F
 DIIS: error= 3.30D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -398.728495611103     IErMin= 5 ErrMin= 3.30D-05
 ErrMax= 3.30D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.35D-07 BMatP= 1.39D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.337D-02 0.646D-01 0.542D-01 0.199D+00 0.686D+00
 Coeff:     -0.337D-02 0.646D-01 0.542D-01 0.199D+00 0.686D+00
 Gap=     0.250 Goal=   None    Shift=    0.000
 RMSDP=6.85D-06 MaxDP=2.73D-04 DE=-1.25D-05 OVMax= 4.29D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  6.10D-06    CP:  1.01D+00  1.04D+00  6.13D-01  9.49D-01  9.10D-01
 E= -398.728495819367     Delta-E=       -0.000000208265 Rises=F Damp=F
 DIIS: error= 2.68D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -398.728495819367     IErMin= 6 ErrMin= 2.68D-05
 ErrMax= 2.68D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.44D-07 BMatP= 6.35D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.542D-03 0.280D-02 0.366D-02 0.630D-01 0.487D+00 0.444D+00
 Coeff:     -0.542D-03 0.280D-02 0.366D-02 0.630D-01 0.487D+00 0.444D+00
 Gap=     0.250 Goal=   None    Shift=    0.000
 RMSDP=3.62D-06 MaxDP=1.50D-04 DE=-2.08D-07 OVMax= 2.54D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  2.35D-06    CP:  1.01D+00  1.04D+00  6.16D-01  9.56D-01  9.41D-01
                    CP:  6.43D-01
 E= -398.728496147222     Delta-E=       -0.000000327854 Rises=F Damp=F
 DIIS: error= 4.93D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -398.728496147222     IErMin= 7 ErrMin= 4.93D-06
 ErrMax= 4.93D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.35D-08 BMatP= 4.44D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.167D-04-0.393D-02-0.274D-02 0.128D-01 0.179D+00 0.222D+00
 Coeff-Com:  0.593D+00
 Coeff:      0.167D-04-0.393D-02-0.274D-02 0.128D-01 0.179D+00 0.222D+00
 Coeff:      0.593D+00
 Gap=     0.250 Goal=   None    Shift=    0.000
 RMSDP=9.68D-07 MaxDP=5.00D-05 DE=-3.28D-07 OVMax= 4.15D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  7.40D-07    CP:  1.01D+00  1.04D+00  6.16D-01  9.59D-01  9.51D-01
                    CP:  6.48D-01  8.05D-01
 E= -398.728496157514     Delta-E=       -0.000000010293 Rises=F Damp=F
 DIIS: error= 1.68D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -398.728496157514     IErMin= 8 ErrMin= 1.68D-06
 ErrMax= 1.68D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.75D-09 BMatP= 1.35D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.477D-04-0.215D-02-0.165D-02 0.939D-03 0.510D-01 0.786D-01
 Coeff-Com:  0.328D+00 0.545D+00
 Coeff:      0.477D-04-0.215D-02-0.165D-02 0.939D-03 0.510D-01 0.786D-01
 Coeff:      0.328D+00 0.545D+00
 Gap=     0.250 Goal=   None    Shift=    0.000
 RMSDP=3.17D-07 MaxDP=1.68D-05 DE=-1.03D-08 OVMax= 8.49D-06

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  2.42D-07    CP:  1.01D+00  1.04D+00  6.16D-01  9.59D-01  9.51D-01
                    CP:  6.51D-01  7.94D-01  7.43D-01
 E= -398.728496158930     Delta-E=       -0.000000001415 Rises=F Damp=F
 DIIS: error= 3.06D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -398.728496158930     IErMin= 9 ErrMin= 3.06D-07
 ErrMax= 3.06D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.05D-11 BMatP= 1.75D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.216D-04-0.659D-03-0.517D-03-0.771D-03 0.854D-02 0.162D-01
 Coeff-Com:  0.989D-01 0.238D+00 0.640D+00
 Coeff:      0.216D-04-0.659D-03-0.517D-03-0.771D-03 0.854D-02 0.162D-01
 Coeff:      0.989D-01 0.238D+00 0.640D+00
 Gap=     0.250 Goal=   None    Shift=    0.000
 RMSDP=8.30D-08 MaxDP=3.74D-06 DE=-1.42D-09 OVMax= 1.48D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  5.54D-08    CP:  1.01D+00  1.04D+00  6.16D-01  9.59D-01  9.52D-01
                    CP:  6.53D-01  8.11D-01  7.65D-01  8.65D-01
 E= -398.728496158987     Delta-E=       -0.000000000057 Rises=F Damp=F
 DIIS: error= 8.65D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -398.728496158987     IErMin=10 ErrMin= 8.65D-08
 ErrMax= 8.65D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.29D-12 BMatP= 8.05D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.616D-05-0.133D-03-0.102D-03-0.492D-03-0.261D-03 0.702D-03
 Coeff-Com:  0.194D-01 0.640D-01 0.298D+00 0.619D+00
 Coeff:      0.616D-05-0.133D-03-0.102D-03-0.492D-03-0.261D-03 0.702D-03
 Coeff:      0.194D-01 0.640D-01 0.298D+00 0.619D+00
 Gap=     0.250 Goal=   None    Shift=    0.000
 RMSDP=2.28D-08 MaxDP=7.37D-07 DE=-5.71D-11 OVMax= 5.56D-07

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  1.66D-08    CP:  1.01D+00  1.04D+00  6.16D-01  9.59D-01  9.52D-01
                    CP:  6.52D-01  8.14D-01  7.74D-01  8.48D-01  7.92D-01
 E= -398.728496158981     Delta-E=        0.000000000006 Rises=F Damp=F
 DIIS: error= 2.86D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=10 EnMin= -398.728496158987     IErMin=11 ErrMin= 2.86D-08
 ErrMax= 2.86D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.19D-13 BMatP= 8.29D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.761D-06-0.257D-06 0.147D-05-0.176D-03-0.939D-03-0.119D-02
 Coeff-Com:  0.102D-02 0.945D-02 0.847D-01 0.302D+00 0.605D+00
 Coeff:      0.761D-06-0.257D-06 0.147D-05-0.176D-03-0.939D-03-0.119D-02
 Coeff:      0.102D-02 0.945D-02 0.847D-01 0.302D+00 0.605D+00
 Gap=     0.250 Goal=   None    Shift=    0.000
 RMSDP=7.03D-09 MaxDP=1.49D-07 DE= 5.91D-12 OVMax= 1.81D-07

 SCF Done:  E(RB3LYP) =  -398.728496159     A.U. after   11 cycles
            NFock= 11  Conv=0.70D-08     -V/T= 2.0094
 KE= 3.950311098827D+02 PE=-1.587181592217D+03 EE= 4.663495770536D+02
 Leave Link  502 at Thu Aug 12 20:21:27 2021, MaxMem=  5368709120 cpu:             148.4 elap:              18.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   205
 NBasis=   205 NAE=    28 NBE=    28 NFC=     0 NFV=     0
 NROrb=    205 NOA=    28 NOB=    28 NVA=   177 NVB=   177

 **** Warning!!: The largest alpha MO coefficient is  0.29982247D+02

 Leave Link  801 at Thu Aug 12 20:21:27 2021, MaxMem=  5368709120 cpu:               0.2 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         4250 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5368709120 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.088559
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          14
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 8.26D-14 8.33D-09 XBig12= 1.00D+00 2.98D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 8.26D-14 8.33D-09 XBig12= 3.22D-01 9.47D-02.
     11 vectors produced by pass  2 Test12= 8.26D-14 8.33D-09 XBig12= 4.21D-02 3.96D-02.
     11 vectors produced by pass  3 Test12= 8.26D-14 8.33D-09 XBig12= 1.45D-03 8.81D-03.
     11 vectors produced by pass  4 Test12= 8.26D-14 8.33D-09 XBig12= 5.87D-05 1.79D-03.
     11 vectors produced by pass  5 Test12= 8.26D-14 8.33D-09 XBig12= 1.52D-06 1.99D-04.
     11 vectors produced by pass  6 Test12= 8.26D-14 8.33D-09 XBig12= 1.99D-08 1.75D-05.
     11 vectors produced by pass  7 Test12= 8.26D-14 8.33D-09 XBig12= 8.55D-11 1.55D-06.
      8 vectors produced by pass  8 Test12= 8.26D-14 8.33D-09 XBig12= 5.05D-13 1.08D-07.
 InvSVY:  IOpt=1 It=  1 EMax= 2.84D-14
 Solved reduced A of dimension    96 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.088559:
                1             2             3 
      1  0.662035D+02
      2 -0.269709D+01  0.655708D+02
      3 -0.409917D+00  0.397616D+00  0.484242D+02
 Isotropic polarizability for W=    0.088559       60.07 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.088559:
                 1             2             3 
      1  -0.120143D+01 -0.206206D+02 -0.385762D+01
      2   0.350713D+01  0.295479D+02 -0.810514D+00
      3  -0.230570D+01 -0.892726D+01  0.466813D+01
      4   0.168407D+02  0.692302D+01  0.559175D+01
      5   0.327051D+01  0.427277D+01  0.161556D+02
      6   0.172487D+01  0.204318D+01  0.316614D+02
 Dipole-magnetic dipole polarizability for W=    0.088559:
                 1             2             3 
      1  -0.156007D+01 -0.241394D+01 -0.134451D+02
      2   0.739855D+00  0.261481D+01  0.855002D+01
      3   0.101058D+02  0.471425D+01 -0.132577D+01
 DQ contribution to OR G for W=    0.088559:
                 1             2             3 
      1  -0.131898D+01  0.285369D+01 -0.405886D+02
      2  -0.712813D+01  0.386688D+01  0.184613D+02
      3   0.374613D+02 -0.341588D+01 -0.254789D+01
 Optical Rotation G' tensor for W=    0.088559:
                 1             2             3 
      1   0.314774D+00 -0.115784D+00  0.443893D+00
      2  -0.115784D+00 -0.476201D+00 -0.143538D+01
      3   0.443893D+00 -0.143538D+01 -0.109608D+00
 OR G Eigenvalues:    -1.7611     0.1671     1.3229  Iso=     0.0903
 Eigenvectors:
   (1)  -0.101737   0.737137   0.668041
   (2)   0.919024   0.326724  -0.220557
   (3)   0.380846  -0.591507   0.710687
 w=    0.088559 a.u., Optical Rotation Beta=      0.0903 au.
 Molar Mass =    105.0932 grams/mole, [Alpha] ( 5145.0 A) =       43.59 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   21115 ScalPx= 6.85D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   21115 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 1.61D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 1.38D-14 2.78D-09 XBig12= 1.00D+00 4.23D-01.
     30 vectors produced by pass  1 Test12= 1.38D-14 2.78D-09 XBig12= 6.05D-02 4.71D-02.
     30 vectors produced by pass  2 Test12= 1.38D-14 2.78D-09 XBig12= 6.18D-04 3.88D-03.
     30 vectors produced by pass  3 Test12= 1.38D-14 2.78D-09 XBig12= 5.73D-06 2.80D-04.
     30 vectors produced by pass  4 Test12= 1.38D-14 2.78D-09 XBig12= 2.95D-08 2.50D-05.
     30 vectors produced by pass  5 Test12= 1.38D-14 2.78D-09 XBig12= 5.56D-11 1.16D-06.
     26 vectors produced by pass  6 Test12= 1.38D-14 2.78D-09 XBig12= 8.18D-14 2.88D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 2.33D-15
 Solved reduced A of dimension   206 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   21115 ScalPx= 3.00D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   21115 ScalPx= 3.00D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   21115 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 1.39D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.662035D+02 -0.269709D+01 -0.409917D+00
      2  -0.269709D+01  0.655708D+02  0.397616D+00
      3  -0.409917D+00  0.397616D+00  0.484242D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.156007D+01 -0.241394D+01 -0.134451D+02
      2   0.739855D+00  0.261481D+01  0.855002D+01
      3   0.101058D+02  0.471425D+01 -0.132577D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.120143D+01 -0.206206D+02 -0.385762D+01
      2   0.350713D+01  0.295479D+02 -0.810514D+00
      3  -0.230570D+01 -0.892726D+01  0.466813D+01
      4   0.168407D+02  0.692302D+01  0.559175D+01
      5   0.327051D+01  0.427277D+01  0.161556D+02
      6   0.172487D+01  0.204318D+01  0.316614D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    42 ND12= 1 LenFil=    1515:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.312308D+01  0.103394D+01  0.166289D+01 -0.297035D+00 -0.498506D+01
      2   0.103394D+01 -0.223111D+01  0.734937D+00 -0.498506D+01 -0.428064D+01
      3   0.166289D+01  0.734937D+00  0.229741D+01 -0.138820D+00  0.714581D+00
                 6             7             8             9            10 
      1  -0.138820D+00  0.264268D+01  0.193816D+00  0.126618D+01 -0.370894D+01
      2   0.714581D+00  0.193816D+00  0.104929D+01 -0.115267D+01 -0.523503D+00
      3  -0.418324D+00  0.126618D+01 -0.115267D+01 -0.896497D+01 -0.115080D+01
                11            12            13            14            15 
      1  -0.523503D+00 -0.115080D+01 -0.129213D+01  0.335083D+01  0.219482D+00
      2   0.264107D+01 -0.342964D-01  0.335083D+01  0.134128D+01  0.871025D-02
      3  -0.342964D-01 -0.143146D+01  0.219482D+00  0.871025D-02  0.490693D+00
                16            17            18            19            20 
      1  -0.229367D+01  0.168574D+00 -0.120981D+01  0.116805D+01  0.111378D+00
      2   0.168574D+00  0.219589D+00 -0.330691D+00  0.111378D+00 -0.535435D+01
      3  -0.120981D+01 -0.330691D+00  0.701811D+01  0.266506D-01  0.612779D-01
                21            22            23            24            25 
      1   0.266506D-01  0.326960D+01 -0.325452D+01 -0.101777D+00 -0.736790D+00
      2   0.612779D-01 -0.325452D+01  0.364873D+01 -0.511001D+00 -0.246820D+00
      3  -0.779093D+00 -0.101777D+00 -0.511001D+00  0.329647D+00 -0.435940D+00
                26            27            28            29            30 
      1  -0.246820D+00 -0.435940D+00 -0.754295D+01 -0.941921D+00  0.262077D+00
      2   0.209481D+00  0.959945D-01 -0.941921D+00  0.894942D+00 -0.621596D-01
      3   0.959945D-01 -0.643534D+00  0.262077D+00 -0.621596D-01 -0.100499D+01
                31            32            33            34            35 
      1  -0.368316D+01 -0.202969D+01  0.128461D+00  0.120608D+01  0.445838D+00
      2  -0.202969D+01 -0.602850D+01  0.287995D+00  0.445838D+00  0.478469D+00
      3   0.128461D+00  0.287995D+00 -0.245044D+00 -0.215381D+01 -0.108847D+00
                36            37            38            39            40 
      1  -0.215381D+01  0.785533D+01 -0.228056D+01 -0.109133D+01  0.101182D+01
      2  -0.108847D+00 -0.228056D+01  0.273324D+01 -0.131418D+00  0.447356D+01
      3   0.528281D+00 -0.109133D+01 -0.131418D+00  0.310357D+00 -0.143963D+00
                41            42            43            44            45 
      1   0.447356D+01 -0.143963D+00 -0.177929D+01  0.563296D+00  0.128867D+01
      2   0.105996D+01 -0.122415D+00  0.563296D+00 -0.782656D+00 -0.614284D+00
      3  -0.122415D+00  0.109204D+01  0.128867D+01 -0.614284D+00 -0.255187D+00
                46            47            48            49            50 
      1  -0.212799D+01  0.252773D+01  0.590291D+00  0.200833D+01 -0.284837D+01
      2   0.252773D+01 -0.347322D+01  0.318532D+00 -0.284837D+01 -0.322252D+01
      3   0.590291D+00  0.318532D+00 -0.841091D+00  0.312034D+00  0.859742D+00
                51            52            53            54            55 
      1   0.312034D+00  0.452300D+00  0.373491D+00 -0.695196D+00  0.446268D+01
      2   0.859742D+00  0.373491D+00  0.111803D+01 -0.269078D+01 -0.234570D+01
      3  -0.243850D+01 -0.695196D+00 -0.269078D+01 -0.352156D+01  0.111165D+00
                56            57            58            59            60 
      1  -0.234570D+01  0.111165D+00 -0.490768D+01  0.234924D+01  0.880596D-02
      2   0.274128D+01 -0.151799D+00  0.234924D+01 -0.122032D+02  0.390081D+00
      3  -0.151799D+00  0.129852D+01  0.880596D-02  0.390081D+00 -0.203339D+01
                61            62            63            64            65 
      1   0.457294D+00 -0.171220D+00  0.100309D+01  0.138975D+01  0.340293D+00
      2  -0.171220D+00  0.416434D+00 -0.294281D+01  0.340293D+00 -0.119133D+00
      3   0.100309D+01 -0.294281D+01  0.693055D+00 -0.106063D+01  0.318978D-01
                66            67            68            69            70 
      1  -0.106063D+01  0.236421D+00 -0.528478D+00 -0.508464D-01 -0.136572D+01
      2   0.318978D-01 -0.528478D+00  0.311780D+00 -0.101773D+01 -0.303910D-01
      3   0.126657D+01 -0.508464D-01 -0.101773D+01  0.141702D+00  0.669661D+00
                71            72            73            74            75 
      1  -0.303910D-01  0.669661D+00  0.284211D+01  0.203913D+01 -0.510311D+00
      2  -0.181415D+01  0.738441D+00  0.203913D+01  0.237804D+01 -0.156116D+00
      3   0.738441D+00 -0.851061D+01 -0.510311D+00 -0.156116D+00  0.521507D+00
                76            77            78            79            80 
      1   0.319979D+01  0.340556D+01  0.184007D-01 -0.106871D+01 -0.377353D+00
      2   0.340556D+01  0.692174D+01 -0.491198D+00 -0.377353D+00 -0.126980D+01
      3   0.184007D-01 -0.491198D+00  0.799360D+00  0.652257D+00  0.105077D+01
                81            82            83            84            85 
      1   0.652257D+00 -0.666049D+00  0.214546D+00  0.114444D+01 -0.338852D+00
      2   0.105077D+01  0.214546D+00  0.743664D-01 -0.344719D+00  0.468356D+00
      3   0.321696D+00  0.114444D+01 -0.344719D+00 -0.128148D+01 -0.579438D-01
                86            87            88            89            90 
      1   0.468356D+00 -0.579438D-01  0.167805D+01 -0.333291D+00  0.117102D+00
      2   0.408044D+00  0.110894D+01 -0.333291D+00  0.137508D+01  0.103174D+01
      3   0.110894D+01 -0.316138D+00  0.117102D+00  0.103174D+01  0.964285D+01
                91            92            93            94            95 
      1  -0.333780D+01  0.828154D+00 -0.113288D+00  0.383744D+01  0.217449D+00
      2   0.828154D+00 -0.802168D+00  0.441535D-02  0.217449D+00  0.598948D+01
      3  -0.113288D+00  0.441535D-02 -0.830095D+00 -0.242304D+00 -0.179198D+00
                96            97            98            99           100 
      1  -0.242304D+00 -0.273667D+00 -0.114047D+00 -0.885615D+00 -0.462258D+00
      2  -0.179198D+00 -0.114047D+00 -0.434972D+00  0.128098D+00 -0.503564D-01
      3   0.475959D+00 -0.885615D+00  0.128098D+00 -0.163236D-01  0.229518D+00
               101           102           103           104           105 
      1  -0.503564D-01  0.229518D+00  0.106579D+00 -0.129513D+00 -0.163548D-01
      2   0.441552D+00  0.205051D+00 -0.129513D+00  0.236285D+01  0.149964D+01
      3   0.205051D+00  0.333315D+00 -0.163548D-01  0.149964D+01  0.152239D+01
               106           107           108           109           110 
      1   0.146138D+01 -0.384329D+00 -0.135103D+00 -0.391758D+00  0.378518D+00
      2  -0.384329D+00  0.322140D+01  0.291800D+01  0.378518D+00  0.891389D+00
      3  -0.135103D+00  0.291800D+01  0.596914D+01 -0.285395D+00 -0.306445D+00
               111           112           113           114           115 
      1  -0.285395D+00  0.886917D+00  0.125586D+00 -0.892922D-01 -0.956931D+00
      2  -0.306445D+00  0.125586D+00  0.842611D+01 -0.232541D+01 -0.229601D+00
      3   0.362388D+00 -0.892922D-01 -0.232541D+01  0.187702D+01  0.850941D-01
               116           117           118           119           120 
      1  -0.229601D+00  0.850941D-01 -0.260326D+01 -0.133165D+01  0.184729D+00
      2  -0.421746D+01  0.238210D+01 -0.133165D+01 -0.815893D+00 -0.169158D+00
      3   0.238210D+01 -0.201296D+01  0.184729D+00 -0.169158D+00 -0.221866D+00
               121           122           123           124           125 
      1  -0.403804D+01 -0.614953D+00  0.154120D+00  0.577001D+00  0.142038D+00
      2  -0.614953D+00 -0.473512D+01 -0.222742D+00  0.142038D+00  0.431261D+00
      3   0.154120D+00 -0.222742D+00 -0.127742D+01  0.433425D+00 -0.505063D+00
               126 
      1   0.433425D+00
      2  -0.505063D+00
      3  -0.247977D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.312297D+01 -0.291415D+01 -0.370921D+01 -0.235122D+01 -0.322762D+01
      2   0.409080D+01  0.160611D+01  0.358836D+01 -0.228320D+00  0.253342D+01
      3   0.488395D+01  0.471195D+01  0.873019D+00  0.110969D+02  0.613218D+00
                 6             7             8             9            10 
      1   0.410265D+00 -0.167660D+01  0.234288D+01  0.839752D+01  0.209524D+01
      2   0.123892D+01 -0.151990D+01 -0.162572D+01 -0.103429D+02 -0.721631D+00
      3  -0.171887D+01  0.204270D+01 -0.976771D+00  0.320233D+01 -0.301141D+01
                11            12            13            14            15 
      1  -0.364325D+00 -0.271801D+00 -0.270470D+01  0.101318D+01 -0.289256D+01
      2  -0.135072D+01  0.118900D+01  0.185185D+01  0.109997D+01  0.293893D+01
      3  -0.470017D+01 -0.118170D+01  0.432041D+00 -0.186040D+01  0.543462D+00
                16            17            18            19            20 
      1   0.109849D+01  0.382679D+01 -0.154847D+01  0.210331D+00  0.169532D+01
      2  -0.517457D+01  0.147179D+01  0.983073D+00 -0.522613D+00 -0.207450D+01
      3  -0.363253D+01  0.363587D+00 -0.775378D+00  0.931003D+00 -0.592368D+01
                21            22            23            24            25 
      1  -0.192825D+01  0.213561D+01  0.232091D+01  0.836840D+01  0.326240D+01
      2  -0.673720D+01 -0.249752D+01  0.111709D+01  0.710225D+00 -0.140535D+02
      3   0.160414D+01 -0.725949D+01  0.239200D+01 -0.119285D+01  0.435598D+01
                26            27            28            29            30 
      1   0.129273D+02 -0.248162D+01  0.615250D+00  0.926597D-02 -0.216986D+00
      2  -0.459342D+01  0.186741D+01 -0.163986D+01 -0.397494D+00  0.848183D+01
      3  -0.642262D+00  0.974009D+00  0.303578D+01 -0.376229D+01 -0.376862D+00
                31            32            33            34            35 
      1  -0.746265D+00 -0.127749D+01 -0.344231D+01 -0.318978D+01  0.166868D-01
      2   0.128420D+01 -0.626312D+00  0.243440D+01  0.329956D+01  0.329431D+01
      3   0.841532D+00 -0.224823D+02  0.939510D+00 -0.552658D+00  0.249575D+01
                36            37            38            39            40 
      1   0.690069D+00  0.102284D+00 -0.167090D+00  0.325522D+01  0.861584D-01
      2  -0.183464D+01 -0.250730D+01  0.119167D+01  0.583266D+01  0.305825D-01
      3   0.131621D+01 -0.388956D+01 -0.177895D+02 -0.931048D+00 -0.131883D+02
                41            42            43            44            45 
      1  -0.155615D+01 -0.435633D+01 -0.324428D+00  0.389763D+01 -0.139387D+01
      2  -0.529079D+00 -0.373250D+00 -0.874994D-01 -0.834519D+00 -0.187198D+01
      3  -0.587374D+01  0.669461D+00  0.339767D+00  0.265321D+01  0.138155D+01
                46            47            48            49            50 
      1  -0.120981D+01  0.176103D+00  0.238664D+01  0.484060D+00 -0.513198D+01
      2  -0.114276D+01  0.186752D+01  0.664349D+01  0.117483D+00 -0.292121D+01
      3   0.918528D-01 -0.591112D+01  0.776053D+00  0.534197D+01 -0.987266D+01
                51            52            53            54            55 
      1   0.122521D+01  0.140163D+01  0.105868D+02  0.617644D+01 -0.369886D+00
      2   0.226040D+01 -0.107769D+01  0.421732D+01  0.430657D+01  0.582768D+00
      3   0.174772D+01  0.124062D+01  0.288342D+01 -0.535646D+01 -0.827336D+01
                56            57            58            59            60 
      1  -0.976307D+00  0.201892D+01  0.518852D+00  0.114538D+01 -0.112561D+02
      2   0.932765D+00  0.421175D+01 -0.498403D+00 -0.134998D+01 -0.144920D+01
      3   0.315860D+00 -0.628923D+00  0.177360D+02 -0.713646D+01  0.524961D+00
                61            62            63            64            65 
      1  -0.971742D+00 -0.168383D+01  0.184624D+01  0.349057D+00 -0.316905D+00
      2  -0.207138D+01  0.384307D+01 -0.427445D+00  0.121505D+01  0.225983D+00
      3  -0.287993D+01 -0.376559D+00 -0.372273D+01  0.818438D+00 -0.358062D+00
                66            67            68            69            70 
      1  -0.317091D+00  0.311259D+00 -0.460783D+00 -0.109442D+00 -0.743400D+00
      2   0.105946D+01 -0.450622D-05 -0.294955D+00 -0.480473D+00 -0.208108D+01
      3  -0.780812D+00  0.166912D+01 -0.245072D+00  0.930636D-01 -0.693218D+00
                71            72            73            74            75 
      1   0.261744D+01  0.419123D+01  0.168502D+01  0.147094D+01 -0.123694D+01
      2   0.506627D+00 -0.662052D+00 -0.125380D+01 -0.805985D+00  0.193876D+01
      3   0.321351D+00  0.749497D-01  0.925431D-01 -0.356835D+01 -0.346095D+00
                76            77            78            79            80 
      1   0.108403D+01  0.313109D+01 -0.335511D+01 -0.645948D+00 -0.489465D+00
      2  -0.275446D+00 -0.135151D+01  0.216475D+01  0.150412D+00  0.137597D+01
      3   0.425250D+00 -0.840559D+01  0.109706D+01 -0.128133D+01  0.174953D+01
                81            82            83            84            85 
      1   0.258289D+00 -0.549835D+00  0.361647D-01  0.871991D+00  0.207534D+00
      2   0.120097D+00  0.269836D+01 -0.941076D+00 -0.108419D+01 -0.190021D+00
      3  -0.827270D+00 -0.144646D+01 -0.626772D+00  0.126769D+01 -0.654186D-01
                86            87            88            89            90 
      1  -0.609991D+00  0.236460D+00 -0.125826D+00  0.363291D+01 -0.781896D+01
      2   0.137214D+01 -0.355083D+00 -0.482313D+01  0.181925D+01  0.132832D+02
      3  -0.115749D+00 -0.132729D+01  0.176119D+01 -0.255729D+01 -0.214077D+01
                91            92            93            94            95 
      1   0.389043D+00  0.208773D+00  0.115840D+01  0.162141D+00  0.151567D+01
      2   0.668243D-02 -0.134518D+00  0.113326D+01 -0.354943D+00  0.215502D+00
      3  -0.555690D+00 -0.348111D+01 -0.204444D+00  0.208947D+00  0.245658D+02
                96            97            98            99           100 
      1   0.123895D+01  0.618183D+00  0.273389D+01 -0.101401D-01 -0.498596D+00
      2  -0.232488D+01 -0.120232D+00 -0.119605D+01  0.342340D+00 -0.126076D+01
      3  -0.654705D+00  0.981165D-01 -0.177774D+01 -0.449575D+00 -0.791673D+00
               101           102           103           104           105 
      1   0.294393D+00 -0.896757D+00  0.309843D+00 -0.236103D+01 -0.403846D+01
      2  -0.459873D-01 -0.494543D+00 -0.149015D-01 -0.194905D+01 -0.204218D+01
      3  -0.677463D+00  0.370926D+00  0.687234D+00  0.213913D+01  0.144103D+01
               106           107           108           109           110 
      1  -0.276061D+00 -0.395540D+01 -0.119241D+02 -0.279465D-01  0.422550D+00
      2  -0.325183D+01 -0.312314D+01 -0.666916D+01  0.467452D+00  0.520716D+00
      3   0.364892D+01  0.235639D+01  0.309549D+01 -0.262016D+00  0.821877D+00
               111           112           113           114           115 
      1  -0.116134D+01 -0.616430D-01  0.392388D+01 -0.502399D+01 -0.273144D+00
      2  -0.373667D+00  0.907377D+00  0.335258D+01 -0.207431D+01 -0.130789D+01
      3  -0.794943D+00  0.435649D+01  0.926060D+01 -0.274680D+01 -0.344620D+01
               116           117           118           119           120 
      1  -0.364037D+01  0.409669D+01  0.332821D+00  0.425271D+00  0.472028D-01
      2  -0.311018D+01  0.169785D+01 -0.217025D+00 -0.395586D+00 -0.117650D+01
      3  -0.546059D+01  0.289752D+01  0.972534D+01  0.816386D+01  0.154272D+00
               121           122           123           124           125 
      1   0.768982D+00  0.137605D+01 -0.121749D+01  0.497483D+00 -0.282851D-01
      2  -0.131938D+00 -0.668612D+00 -0.264825D+01 -0.984246D+00 -0.696697D+00
      3   0.108207D+02  0.156726D+02  0.378676D+00 -0.100143D+01 -0.103201D+01
               126 
      1  -0.280610D+00
      2  -0.586766D+00
      3   0.330116D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.181401D+01  0.656882D+00 -0.241026D+01  0.811815D+01 -0.535546D+01
      2  -0.309309D+01 -0.517039D+01 -0.384313D+01 -0.119722D+02 -0.103611D+02
      3   0.490709D+01  0.451351D+01  0.625339D+01  0.385408D+01  0.157166D+02
      4   0.257147D+01 -0.113766D+02  0.536574D+01 -0.195467D+02 -0.202370D+02
      5   0.756297D+01  0.142333D+01  0.212692D+01 -0.243444D+01  0.209945D+01
      6   0.353456D+01  0.367416D+01  0.705402D+01 -0.608898D+00 -0.774300D+00
                 6             7             8             9            10 
      1   0.193679D+01  0.571824D+01  0.263683D+01  0.163208D+02 -0.423926D+01
      2   0.413150D+01 -0.439307D+01  0.107775D+01  0.641236D+01  0.401119D+01
      3  -0.606829D+01 -0.132517D+01 -0.371458D+01 -0.227332D+02  0.228072D+00
      4   0.164592D+01  0.865287D+00  0.430169D+01 -0.312367D+01 -0.355938D+00
      5   0.300532D+01  0.288524D+01 -0.200880D+01 -0.169255D+02 -0.235733D+01
      6  -0.388357D+01  0.248631D+01 -0.924887D+00 -0.108302D+02 -0.248587D+01
                11            12            13            14            15 
      1  -0.667781D+01 -0.661229D+00  0.233294D+01 -0.702679D+00  0.135596D+01
      2   0.119536D+02 -0.108777D+00  0.224513D+01  0.204998D+01 -0.296806D-01
      3  -0.527577D+01  0.770006D+00 -0.457807D+01 -0.134731D+01 -0.132628D+01
      4  -0.307731D+01 -0.308592D+01 -0.400368D+01  0.876247D+01  0.977644D+00
      5  -0.924453D+00 -0.147551D+01  0.108798D+01  0.141366D+01  0.317525D+01
      6  -0.112479D+01 -0.154635D+01  0.295143D-01 -0.257910D+00  0.128253D+00
                16            17            18            19            20 
      1  -0.146391D+01 -0.106544D+01  0.633407D+01 -0.179228D+02 -0.780563D+01
      2  -0.103949D+01 -0.455210D+01  0.100581D+02  0.111750D+02  0.109258D+02
      3   0.250340D+01  0.561754D+01 -0.163922D+02  0.674785D+01 -0.312013D+01
      4  -0.445228D+01 -0.744077D+00 -0.249104D+01  0.694314D+00  0.512353D+00
      5  -0.829098D+00 -0.134871D+01  0.592386D+01  0.138412D+01 -0.123273D+01
      6  -0.316450D+01  0.556526D-01  0.884595D+01  0.102893D+00 -0.739941D+00
                21            22            23            24            25 
      1   0.126565D+01  0.289254D+01  0.227256D+02 -0.237892D+01  0.132311D+01
      2  -0.196433D+01 -0.131183D+01 -0.319738D+02 -0.360234D+00 -0.129376D+01
      3   0.698672D+00 -0.158072D+01  0.924817D+01  0.273915D+01 -0.293497D-01
      4  -0.358063D+00 -0.954896D+01  0.337957D+01 -0.371115D+00  0.365673D+01
      5  -0.106022D+02 -0.761710D+00 -0.123193D+01  0.262780D+01  0.368023D+01
      6   0.443499D+01 -0.389228D+00 -0.371961D+00 -0.981378D+01 -0.296140D+00
                26            27            28            29            30 
      1  -0.519290D+01 -0.405577D+01  0.458708D+02  0.401557D+01 -0.158552D+01
      2   0.487477D+01 -0.734832D+01 -0.281911D+02 -0.197494D+01  0.166237D+01
      3   0.318128D+00  0.114041D+02 -0.176797D+02 -0.204063D+01 -0.768529D-01
      4   0.131943D+01  0.807427D+00  0.116060D+02  0.797810D+01  0.835990D+00
      5  -0.137616D+01  0.211669D+01 -0.204957D+01  0.967117D+00  0.161464D+02
      6   0.246011D+01  0.297055D+01  0.715078D+00  0.797963D+00  0.742901D+00
                31            32            33            34            35 
      1   0.121148D+02  0.515686D+01  0.557767D+00 -0.223015D+01  0.937531D+00
      2  -0.700952D+01 -0.969272D+00 -0.109963D+00  0.237272D+01  0.376949D+00
      3  -0.510532D+01 -0.418759D+01 -0.447804D+00 -0.142576D+00 -0.131448D+01
      4   0.158573D+02  0.178377D+02 -0.825786D+00 -0.558524D+00 -0.137019D+01
      5   0.115112D+00 -0.138240D+01  0.276848D+01  0.145604D+02  0.137428D+01
      6  -0.217465D+00 -0.628261D+00  0.612939D+01  0.393036D+01  0.475450D+01
                36            37            38            39            40 
      1   0.559731D+01  0.441215D+02 -0.482692D+01 -0.154773D+01 -0.213299D+01
      2  -0.788683D+01 -0.273514D+02 -0.525714D+00  0.384185D+01 -0.396965D+00
      3   0.228952D+01 -0.167701D+02  0.535263D+01 -0.229412D+01  0.252996D+01
      4   0.390380D+01 -0.117352D+02  0.150425D+02 -0.686873D+00  0.168291D+02
      5  -0.340080D+01 -0.558683D+01 -0.177408D-01  0.108435D+02  0.977322D+00
      6  -0.984706D+00 -0.515008D+00 -0.117855D+01 -0.417826D+01 -0.308625D-01
                41            42            43            44            45 
      1   0.106468D+02 -0.405975D+01 -0.712819D+01  0.341236D+00  0.179128D+01
      2  -0.317072D+01 -0.675609D+00  0.562155D+01  0.818376D+00 -0.772258D+01
      3  -0.747613D+01  0.473536D+01  0.150664D+01 -0.115961D+01  0.593130D+01
      4   0.859906D+00 -0.112343D+01  0.293440D+01 -0.311159D+01 -0.268102D+01
      5  -0.203335D+01 -0.107636D+01  0.124204D+02 -0.441714D+01 -0.437412D+01
      6   0.223675D+01  0.865173D+01 -0.225551D+01  0.465925D+01  0.235467D+01
                46            47            48            49            50 
      1   0.356032D+01  0.799708D+01 -0.176836D+01  0.111057D+01  0.121998D+02
      2   0.517629D+01 -0.142712D+02  0.151977D+01 -0.638332D+01 -0.131688D+02
      3  -0.873661D+01  0.627407D+01  0.248585D+00  0.527274D+01  0.969007D+00
      4  -0.520875D+01  0.179893D+02  0.202948D+01  0.157788D+02 -0.684548D+01
      5  -0.428021D+00  0.101730D+01  0.720171D+01 -0.268699D+00 -0.288721D+01
      6   0.203115D+01  0.168450D+01 -0.538400D+01  0.872801D+00  0.769638D+01
                51            52            53            54            55 
      1  -0.156997D+01 -0.243595D+01 -0.236352D+01  0.118985D+02  0.915775D+00
      2   0.644952D+01  0.171147D+01  0.848887D+01 -0.130828D+02  0.375072D+01
      3  -0.487955D+01  0.724480D+00 -0.612536D+01  0.118428D+01 -0.466650D+01
      4  -0.130308D+01  0.721278D+00 -0.215258D+01 -0.853989D+00 -0.682886D+01
      5   0.186969D+01  0.577858D+01  0.443509D+01  0.449181D+01  0.376687D-02
      6  -0.813135D+01 -0.274011D+01 -0.122971D+02 -0.130756D+02 -0.449730D+00
                56            57            58            59            60 
      1   0.755722D+01 -0.953268D+00  0.531105D+01 -0.397069D+02  0.891271D+00
      2  -0.112357D+02  0.550931D+00 -0.651579D+01  0.590978D+02 -0.235428D+00
      3   0.367849D+01  0.402336D+00  0.120474D+01 -0.193909D+02 -0.655844D+00
      4   0.130422D+02 -0.554489D+00  0.169038D+02  0.179749D+01  0.148707D+00
      5  -0.314921D+00  0.618985D+01 -0.275241D+00  0.589389D+00 -0.109403D+01
      6   0.704285D+00 -0.405258D+01  0.417955D+00 -0.186903D+00  0.176770D+02
                61            62            63            64            65 
      1  -0.104296D-01  0.312656D+01 -0.989241D+01  0.679160D+00  0.733819D+00
      2   0.312916D+00 -0.240918D+01  0.761255D+01 -0.435438D+01 -0.109160D+01
      3  -0.302487D+00 -0.717378D+00  0.227986D+01  0.367522D+01  0.357783D+00
      4  -0.162185D+01 -0.150000D+00  0.555764D+00  0.106472D+01  0.193699D+01
      5   0.325835D+01  0.284863D+01 -0.560102D-01 -0.131921D+01 -0.331039D+00
      6  -0.307847D+01  0.159343D+02 -0.287258D+01 -0.154302D+01 -0.347627D+00
                66            67            68            69            70 
      1   0.893917D+00  0.412695D+00 -0.340059D+01  0.186664D+00  0.441395D+00
      2   0.175034D+01  0.232773D+00  0.500775D+00 -0.142799D+01  0.241983D+01
      3  -0.264426D+01 -0.645468D+00  0.289981D+01  0.124133D+01 -0.286123D+01
      4  -0.127091D+01  0.223407D+01  0.186545D+00 -0.640551D+00 -0.126908D+01
      5   0.692671D+01 -0.145184D+00 -0.129074D+01 -0.487040D+00  0.466220D+01
      6   0.146263D+01 -0.920458D+00 -0.931178D+00  0.640565D+01  0.123680D+01
                71            72            73            74            75 
      1   0.266012D+01 -0.162560D+02  0.107799D+02  0.562927D+01 -0.144384D+01
      2  -0.201135D+00 -0.164003D+02 -0.700232D+00  0.219668D+01 -0.707421D-01
      3  -0.245898D+01  0.326563D+02 -0.100797D+02 -0.782595D+01  0.151458D+01
      4   0.433291D+00  0.967783D+00  0.154133D+02  0.159103D+02 -0.138965D+01
      5   0.798855D+00 -0.478748D+01 -0.801568D+00 -0.270781D-01  0.308721D+01
      6   0.516752D+01 -0.114001D+02 -0.628104D+00 -0.216089D+00  0.175993D+01
                76            77            78            79            80 
      1   0.528027D+01 -0.282716D+01  0.517116D+00 -0.280399D+01  0.701616D+00
      2   0.518402D+01  0.209232D+02 -0.200758D+01  0.730544D+00 -0.302589D+01
      3  -0.104643D+02 -0.180960D+02  0.149047D+01  0.207345D+01  0.232427D+01
      4   0.202753D+02  0.314173D+02 -0.199050D+01 -0.329583D+01 -0.459076D+01
      5   0.582641D+00 -0.761435D+00  0.357540D+01  0.392922D+01  0.441080D+01
      6   0.983679D+00  0.165084D+00  0.433225D+01  0.267810D+01  0.494053D+01
                81            82            83            84            85 
      1  -0.142480D+01 -0.187417D+01  0.146496D+01  0.631760D+01 -0.159002D+01
      2   0.395169D+00 -0.153828D+01  0.382833D+00 -0.163095D+01  0.190035D+01
      3   0.102964D+01  0.341245D+01 -0.184780D+01 -0.468665D+01 -0.310324D+00
      4   0.511956D+01  0.194872D+00  0.272713D+01  0.262492D+00  0.316457D+01
      5  -0.533083D-01  0.216751D+01 -0.778983D-01  0.409374D+01 -0.102043D+00
      6  -0.104548D+01  0.886566D+00 -0.158513D+01 -0.235605D+01  0.975444D-01
                86            87            88            89            90 
      1  -0.182862D+01 -0.142905D+01  0.526740D+01 -0.408019D+01 -0.212126D+02
      2   0.798745D-01  0.183804D+01 -0.278756D+01  0.156055D+01 -0.156811D+02
      3   0.174875D+01 -0.408989D+00 -0.247984D+01  0.251965D+01  0.368936D+02
      4   0.244440D+01  0.259937D+01  0.118358D+01  0.349331D+01  0.423550D+01
      5   0.241929D+01 -0.977246D+00  0.576003D+01  0.245474D+01  0.227180D+02
      6   0.142827D+01  0.597671D+01  0.580153D-01  0.607210D+01  0.114993D+02
                91            92            93            94            95 
      1   0.133949D+02 -0.451881D+01  0.223310D+00 -0.167874D+02 -0.127354D+01
      2  -0.759147D+01  0.235178D+01 -0.118563D+00  0.112847D+02  0.160013D+01
      3  -0.580338D+01  0.216703D+01 -0.104747D+00  0.550275D+01 -0.326590D+00
      4  -0.806102D+01  0.356548D+01 -0.351299D+00 -0.112800D+01 -0.164173D+02
      5   0.160573D+00  0.959414D-02  0.257497D+01  0.519198D+00  0.935095D+00
      6  -0.225941D+00 -0.103406D+00 -0.168960D+01 -0.291179D+00  0.801659D+00
                96            97            98            99           100 
      1   0.284184D+00  0.114422D+01  0.374817D+00  0.206936D+01  0.191296D+01
      2  -0.348479D+00 -0.820707D+00 -0.519881D+00 -0.274788D+01 -0.194282D+01
      3   0.642955D-01 -0.323511D+00  0.145064D+00  0.678525D+00  0.298547D-01
      4   0.217299D+00  0.297031D+00  0.919838D+00 -0.166768D+01 -0.167651D+01
      5  -0.353881D+01  0.474225D+01 -0.101003D+01  0.399905D+00  0.217656D+00
      6  -0.210889D+01 -0.955066D+00  0.736354D+00  0.948573D-01  0.110626D+01
               101           102           103           104           105 
      1  -0.195174D+01 -0.106845D+01 -0.296549D+00 -0.842634D+01 -0.484538D+01
      2   0.214745D+01  0.618238D+00 -0.579091D-01  0.114826D+02  0.623959D+01
      3  -0.195711D+00  0.450214D+00  0.354459D+00 -0.305626D+01 -0.139422D+01
      4   0.141286D+01  0.157287D+01  0.214637D+01 -0.212867D+01 -0.133141D+01
      5   0.865350D+00  0.176927D+01  0.289378D+00 -0.153297D+01 -0.234579D+01
      6   0.126685D+01  0.198288D+01 -0.172123D+00  0.848174D+01  0.103951D+02
               106           107           108           109           110 
      1  -0.209246D+00 -0.109392D+02 -0.136496D+02  0.770871D+00 -0.327123D+01
      2  -0.304085D+00  0.106853D+02  0.476555D+01  0.263695D+00  0.487789D+01
      3   0.513331D+00  0.253883D+00  0.888404D+01 -0.103457D+01 -0.160666D+01
      4   0.438475D+01 -0.252715D+01 -0.162845D+01 -0.182653D+00  0.351434D+01
      5   0.190663D+01 -0.368520D+01 -0.752830D+01 -0.446064D-01 -0.957299D+00
      6  -0.437222D+00  0.152759D+02  0.259386D+02 -0.210304D+01 -0.233193D+01
               111           112           113           114           115 
      1   0.134569D+01 -0.160882D+01 -0.252227D+02  0.761403D+01  0.141600D+01
      2  -0.174791D+01  0.981706D+00  0.419867D+02 -0.122557D+02 -0.124701D+01
      3   0.402224D+00  0.627112D+00 -0.167640D+02  0.464170D+01 -0.168993D+00
      4  -0.170385D+01  0.469472D+01 -0.739779D+01  0.196635D+01 -0.258138D+01
      5   0.127092D+01 -0.275519D+00  0.351608D+01 -0.252039D+01  0.119578D+01
      6   0.251782D+01 -0.138329D-01 -0.163944D+02  0.115973D+02  0.319693D+00
               116           117           118           119           120 
      1   0.130028D+02 -0.900595D+01 -0.788457D+01 -0.259879D+01  0.845929D+00
      2  -0.176693D+02  0.950984D+01  0.625014D+01  0.123161D+01 -0.185836D+00
      3   0.466654D+01 -0.503885D+00  0.163443D+01  0.136717D+01 -0.660092D+00
      4   0.315348D+01 -0.155019D+01 -0.192803D+00 -0.360676D+01 -0.267902D+00
      5  -0.334622D+01  0.225679D+01  0.680605D+00 -0.191240D-02 -0.172927D+01
      6   0.154727D+02 -0.113873D+02 -0.425800D+00 -0.500280D+00 -0.748352D+00
               121           122           123           124           125 
      1  -0.133592D+02 -0.569894D+01  0.674210D+00  0.124477D+01 -0.405377D+00
      2   0.822277D+01  0.935026D+01 -0.677803D+00 -0.101007D+01  0.229904D+00
      3   0.513641D+01 -0.365133D+01  0.359304D-02 -0.234703D+00  0.175472D+00
      4   0.254688D+01 -0.163562D+02 -0.379336D+00 -0.264098D+00  0.102533D+01
      5   0.691207D+00  0.147077D+00 -0.498228D+01  0.225333D+01 -0.182722D+01
      6  -0.167364D+00 -0.867335D+00  0.106839D+01 -0.479343D+00  0.326388D+01
               126 
      1  -0.797005D+00
      2  -0.166740D+00
      3   0.963745D+00
      4  -0.159380D+01
      5  -0.119138D+01
      6   0.289625D+00
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Thu Aug 12 20:24:31 2021, MaxMem=  5368709120 cpu:            1463.7 elap:             183.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.19673 -19.14635 -19.14321 -14.36949 -10.33458
 Alpha  occ. eigenvalues --  -10.25743 -10.25448  -1.11286  -1.03433  -1.01779
 Alpha  occ. eigenvalues --   -0.92967  -0.75521  -0.66928  -0.62076  -0.57408
 Alpha  occ. eigenvalues --   -0.53279  -0.51705  -0.49990  -0.47036  -0.46105
 Alpha  occ. eigenvalues --   -0.44608  -0.40822  -0.39655  -0.36283  -0.34040
 Alpha  occ. eigenvalues --   -0.33054  -0.29387  -0.27675
 Alpha virt. eigenvalues --   -0.02695  -0.00150   0.02939   0.02969   0.03484
 Alpha virt. eigenvalues --    0.07028   0.07081   0.08047   0.09451   0.09704
 Alpha virt. eigenvalues --    0.12359   0.12799   0.13493   0.13816   0.14704
 Alpha virt. eigenvalues --    0.15183   0.15572   0.16164   0.17239   0.19293
 Alpha virt. eigenvalues --    0.19832   0.20710   0.21452   0.22311   0.24840
 Alpha virt. eigenvalues --    0.25338   0.26200   0.26467   0.27724   0.28526
 Alpha virt. eigenvalues --    0.29155   0.30621   0.31407   0.32114   0.32657
 Alpha virt. eigenvalues --    0.33443   0.34496   0.34982   0.35673   0.35950
 Alpha virt. eigenvalues --    0.36994   0.37658   0.38301   0.39600   0.40511
 Alpha virt. eigenvalues --    0.42231   0.42831   0.44142   0.45819   0.46128
 Alpha virt. eigenvalues --    0.46441   0.48047   0.48613   0.49162   0.49908
 Alpha virt. eigenvalues --    0.50564   0.52121   0.52918   0.53193   0.54001
 Alpha virt. eigenvalues --    0.55346   0.56424   0.56909   0.57138   0.58548
 Alpha virt. eigenvalues --    0.60132   0.61953   0.63327   0.63705   0.64691
 Alpha virt. eigenvalues --    0.65319   0.67080   0.67796   0.69217   0.70561
 Alpha virt. eigenvalues --    0.70998   0.72680   0.74291   0.76755   0.77951
 Alpha virt. eigenvalues --    0.78605   0.79288   0.81857   0.82165   0.85796
 Alpha virt. eigenvalues --    0.89480   0.90336   0.93517   0.94217   0.95833
 Alpha virt. eigenvalues --    1.00259   1.00822   1.02029   1.03937   1.07328
 Alpha virt. eigenvalues --    1.09575   1.11542   1.12631   1.16020   1.17591
 Alpha virt. eigenvalues --    1.19741   1.23493   1.30400   1.31906   1.35804
 Alpha virt. eigenvalues --    1.37493   1.43400   1.45568   1.48487   1.50596
 Alpha virt. eigenvalues --    1.52623   1.54161   1.56309   1.59726   1.62835
 Alpha virt. eigenvalues --    1.65158   1.67611   1.71979   1.74411   1.76682
 Alpha virt. eigenvalues --    1.78005   1.80432   1.81292   1.85449   1.86129
 Alpha virt. eigenvalues --    1.88062   1.90116   1.92974   1.93442   1.95466
 Alpha virt. eigenvalues --    1.96928   1.97957   2.01330   2.04156   2.07153
 Alpha virt. eigenvalues --    2.08117   2.10306   2.11943   2.17078   2.17288
 Alpha virt. eigenvalues --    2.19183   2.21932   2.23376   2.27679   2.32427
 Alpha virt. eigenvalues --    2.34256   2.37191   2.40663   2.43136   2.47435
 Alpha virt. eigenvalues --    2.50650   2.53632   2.58726   2.68886   2.82238
 Alpha virt. eigenvalues --    2.84419   2.85969   2.89737   2.93293   2.97579
 Alpha virt. eigenvalues --    2.99971   3.03089   3.04558   3.08355   3.09025
 Alpha virt. eigenvalues --    3.13208   3.17212   3.24158   3.25714   3.36560
 Alpha virt. eigenvalues --    3.46249   3.50101   3.54219   3.59730   3.80115
 Alpha virt. eigenvalues --    3.93102   3.98114
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    4.079526   0.248129  -0.027109  -0.005769   0.160028  -0.009697
     2  C    0.248129   5.484234  -0.194569  -0.018437  -0.001366  -0.048426
     3  C   -0.027109  -0.194569   5.500724   0.008796  -0.036791  -0.118855
     4  O   -0.005769  -0.018437   0.008796   8.117479   0.002463   0.037518
     5  O    0.160028  -0.001366  -0.036791   0.002463   8.066838   0.006783
     6  N   -0.009697  -0.048426  -0.118855   0.037518   0.006783   7.171894
     7  O   -0.021206   0.082740   0.074875   0.057770  -0.043170   0.008903
     8  H    0.049148   0.235989   0.056571  -0.006238  -0.012694   0.008054
     9  H    0.288951   0.032602  -0.005157   0.004005  -0.052345   0.022401
    10  H    0.307329   0.071054   0.037298  -0.015408  -0.026306  -0.034790
    11  H    0.002657  -0.022454   0.134759   0.194650  -0.000415  -0.047838
    12  H   -0.010098   0.034634   0.032800  -0.017682  -0.006281   0.189487
    13  H   -0.010962   0.118181   0.013492  -0.002179   0.002854   0.082406
    14  H    0.018642  -0.022196  -0.000150   0.003644   0.302523   0.003342
               7          8          9         10         11         12
     1  C   -0.021206   0.049148   0.288951   0.307329   0.002657  -0.010098
     2  C    0.082740   0.235989   0.032602   0.071054  -0.022454   0.034634
     3  C    0.074875   0.056571  -0.005157   0.037298   0.134759   0.032800
     4  O    0.057770  -0.006238   0.004005  -0.015408   0.194650  -0.017682
     5  O   -0.043170  -0.012694  -0.052345  -0.026306  -0.000415  -0.006281
     6  N    0.008903   0.008054   0.022401  -0.034790  -0.047838   0.189487
     7  O    8.366271  -0.009853   0.012715  -0.004691  -0.028469  -0.003636
     8  H   -0.009853   0.803210  -0.052945   0.015941   0.003744   0.014389
     9  H    0.012715  -0.052945   1.114615  -0.072332  -0.001884  -0.004475
    10  H   -0.004691   0.015941  -0.072332   0.972210   0.004089  -0.005597
    11  H   -0.028469   0.003744  -0.001884   0.004089   0.508371  -0.012470
    12  H   -0.003636   0.014389  -0.004475  -0.005597  -0.012470   0.835331
    13  H   -0.001828  -0.053937  -0.004481   0.005667   0.004063  -0.134619
    14  H    0.034708   0.000652   0.006515  -0.016774  -0.000274   0.000904
              13         14
     1  C   -0.010962   0.018642
     2  C    0.118181  -0.022196
     3  C    0.013492  -0.000150
     4  O   -0.002179   0.003644
     5  O    0.002854   0.302523
     6  N    0.082406   0.003342
     7  O   -0.001828   0.034708
     8  H   -0.053937   0.000652
     9  H   -0.004481   0.006515
    10  H    0.005667  -0.016774
    11  H    0.004063  -0.000274
    12  H   -0.134619   0.000904
    13  H    0.891224  -0.000510
    14  H   -0.000510   0.465064
 Mulliken charges:
               1
     1  C    0.930430
     2  C   -0.000114
     3  C    0.523315
     4  O   -0.360612
     5  O   -0.362121
     6  N   -0.271183
     7  O   -0.525127
     8  H   -0.052030
     9  H   -0.288185
    10  H   -0.237692
    11  H    0.261471
    12  H    0.087312
    13  H    0.090628
    14  H    0.203909
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.404553
     2  C   -0.052144
     3  C    0.523315
     4  O   -0.099142
     5  O   -0.158213
     6  N   -0.093242
     7  O   -0.525127
 Electronic spatial extent (au):  <R**2>=            769.6370
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -1.0233    Y=              5.0242    Z=              0.0815  Tot=              5.1280
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -51.0966   YY=            -41.2472   ZZ=            -39.8563
   XY=             -2.2180   XZ=              1.3401   YZ=              0.3828
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -7.0299   YY=              2.8195   ZZ=              4.2104
   XY=             -2.2180   XZ=              1.3401   YZ=              0.3828
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=            -18.3497  YYY=             19.5332  ZZZ=              0.0053  XYY=              5.1573
  XXY=              5.6231  XXZ=              2.0424  XZZ=             -2.0950  YZZ=              2.5158
  YYZ=             -1.8817  XYZ=             -1.2073
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=           -577.4944 YYYY=           -338.4386 ZZZZ=            -66.9933 XXXY=             -5.5714
 XXXZ=              4.3008 YYYX=            -16.5840 YYYZ=             -3.0611 ZZZX=             -0.8636
 ZZZY=              0.1872 XXYY=           -143.4306 XXZZ=           -100.5606 YYZZ=            -64.5266
 XXYZ=              1.3444 YYXZ=             -1.5568 ZZXY=             -2.4830
 N-N= 3.270724091220D+02 E-N=-1.587181591731D+03  KE= 3.950311098827D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Thu Aug 12 20:24:31 2021, MaxMem=  5368709120 cpu:               0.8 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-3.90959536D-01 1.94418336D+00 2.27263548D-02
 Polarizability= 6.01322111D+01-2.53901543D+00 6.02053588D+01
                -4.55054546D-01 2.62461669D-01 4.38429111D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 2     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 3      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 4     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 5     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 6     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.2046    0.2050       -1.3487   -1.3485
 2     -0.2046   -0.2050       -0.1989   -0.1988       -0.3180   -0.3164
 3      1.3487    1.3485        8.8906    8.8896        0.1987    0.1988
 4      0.1989    0.1988       -0.0000    0.0000        1.3486    1.3485
 5     -8.5725   -8.5733       -1.3486   -1.3485        0.2056    0.2050
 6     -0.1987   -0.1988       -0.2056   -0.2050        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.6149   -0.6149       -4.0456   -4.0456
 2      0.5964    0.5964       -0.0000    0.0000       -4.0456   -4.0456
 3      0.5964    0.5964       -0.6149   -0.6149        0.0000    0.0000
 4     -0.6149   -0.6149       -0.5964   -0.5964       -0.9491   -0.9491
 5      4.0456    4.0456       26.6689   26.6689        0.5964    0.5964
 6    -25.7199  -25.7199       -4.0456   -4.0456        0.6149    0.6149
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0166    0.0000       -0.8219   -0.8198        5.3218    5.3942
 2      0.7908    0.8198        0.8540    0.7952        1.2933    1.2654
 3     -5.3662   -5.3942      -35.5739  -35.5586       -0.8172   -0.7952
 4     -0.8055   -0.7952       -0.0121    0.0000       -5.3615   -5.3942
 5     34.2515   34.2932        5.3971    5.3942       -0.8008   -0.8198
 6      0.7585    0.7952        0.8449    0.8198       -0.0060    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0155    0.0000       -3.3261   -3.3392        1.7169    1.6741
 2      3.3628    3.3392       13.3243   13.2643       -8.3510   -8.3498
 3     -1.6756   -1.6741        0.4301    0.4686      -13.2115  -13.2643
 4    -13.2601  -13.2643       -0.0201    0.0000       -1.6762   -1.6741
 5      7.9335    7.8811        1.6251    1.6741       -3.2662   -3.3392
 6     13.2409   13.2643        3.3257    3.3392       -0.0285    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      5.7861    5.8128       14.7851   14.8207        1.2122    1.2273
 2     -9.2369   -9.2326       11.6807   11.6933        1.2539    1.2273
 3     -9.2302   -9.2326       14.8032   14.8207       -3.0427   -3.0471
 4      3.1318    3.1273       15.0796   15.0455      -10.3788  -10.3717
 5     -4.3147   -4.2744       -2.4772   -2.4578      -14.9462  -15.0455
 6     12.9574   12.8295        4.2068    4.2744       -3.1308   -3.1273
 Full mass-weighted force constant matrix:
 Low frequencies ---   -7.7733   -2.0204    0.0008    0.0010    0.0011    6.6203
 Low frequencies ---   69.3773  165.8638  234.5603
 Diagonal vibrational polarizability:
       29.7891697      20.8644254      19.0187297
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   19436.35
                      1                      2                      3
                      A                      A                      A
 Frequencies --     69.3760               165.8634               234.5601
 Red. masses --      6.6043                 2.7109                 4.7811
 Frc consts  --      0.0187                 0.0439                 0.1550
 IR Inten    --      1.9471                 6.5801                10.1830
 RamAct Fr= 1--      0.5370                 0.0530                 0.1991
  Dep-P Fr= 1--      0.7474                 0.7347                 0.3641
  Dep-U Fr= 1--      0.8554                 0.8471                 0.5339
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0017
 Beta2  Fr= 1--      0.0766                 0.0075                 0.0177
 AlphaG Fr= 1--     -0.0005                 0.0001                 0.0030
 Gamma2 Fr= 1--      0.0036                -0.0961                -0.1251
 Delta2 Fr= 1--     -0.0172                -0.0056                -0.0333
 Raman1 Fr= 1--       2.148                  0.212                  0.796
 ROA1   Fr= 1--      -0.201                 -9.407                -13.076
 CID1   Fr= 1--      -0.094                -44.392                -16.419
 Raman2 Fr= 1--       0.919                  0.090                  0.213
 ROA2   Fr= 1--       0.225                 -2.263                 -2.736
 CID2   Fr= 1--       0.245                -25.213                -12.871
 Raman3 Fr= 1--       1.838                  0.179                  0.425
 ROA3   Fr= 1--      -0.201                 -9.407                -13.076
 CID3   Fr= 1--      -0.109                -52.406                -30.755
 RC180  Fr= 1--       0.711                  0.694                  0.068
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.05  -0.03  -0.04    -0.05  -0.11   0.18     0.05   0.11  -0.15
     2   6    -0.00   0.01   0.09     0.02  -0.05   0.04    -0.01  -0.12  -0.03
     3   6    -0.01   0.01   0.06    -0.04  -0.01   0.02    -0.10  -0.07   0.01
     4   8    -0.06  -0.04  -0.37    -0.03   0.04   0.05    -0.10   0.08  -0.02
     5   8     0.01   0.01  -0.23     0.10   0.15  -0.14     0.26   0.17   0.09
     6   7     0.00  -0.01   0.16     0.02   0.00  -0.13     0.07  -0.09   0.09
     7   8     0.01   0.05   0.37    -0.06  -0.03   0.01    -0.22  -0.13  -0.02
     8   1    -0.09   0.06   0.07     0.17  -0.10   0.06    -0.15  -0.11  -0.05
     9   1     0.03  -0.01  -0.01    -0.13   0.01   0.54    -0.11   0.14  -0.38
    10   1     0.17  -0.13  -0.03    -0.11  -0.52   0.14     0.11   0.34  -0.12
    11   1    -0.09  -0.05  -0.42     0.00   0.04  -0.02     0.02   0.11   0.02
    12   1    -0.19  -0.24   0.26    -0.06   0.09  -0.14     0.13  -0.22   0.13
    13   1     0.21   0.12   0.38     0.09  -0.06  -0.19     0.13  -0.03   0.19
    14   1     0.08  -0.01  -0.06     0.28   0.04  -0.23     0.43   0.08   0.18
                      4                      5                      6
                      A                      A                      A
 Frequencies --    296.7783               332.5034               354.5344
 Red. masses --      1.3119                 3.7641                 2.5452
 Frc consts  --      0.0681                 0.2452                 0.1885
 IR Inten    --     15.4370                18.6141                14.7368
 RamAct Fr= 1--      0.4322                 0.4729                 0.9879
  Dep-P Fr= 1--      0.7055                 0.3813                 0.3265
  Dep-U Fr= 1--      0.8273                 0.5521                 0.4923
 Alpha2 Fr= 1--      0.0003                 0.0037                 0.0093
 Beta2  Fr= 1--      0.0596                 0.0435                 0.0811
 AlphaG Fr= 1--      0.0012                 0.0057                 0.0112
 Gamma2 Fr= 1--     -0.0984                 0.0112                -0.1177
 Delta2 Fr= 1--      0.0188                 0.0008                -0.0565
 Raman1 Fr= 1--       1.729                  1.892                  3.952
 ROA1   Fr= 1--      -8.842                  1.096                -13.105
 CID1   Fr= 1--      -5.114                  0.580                 -3.316
 Raman2 Fr= 1--       0.715                  0.522                  0.973
 ROA2   Fr= 1--      -2.511                  0.262                 -2.373
 CID2   Fr= 1--      -3.510                  0.502                 -2.439
 Raman3 Fr= 1--       1.430                  1.044                  1.945
 ROA3   Fr= 1--      -8.842                  1.096                -13.105
 CID3   Fr= 1--      -6.181                  1.050                 -6.736
 RC180  Fr= 1--       0.655                  0.104                 -0.015
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.04  -0.02     0.08   0.08   0.05     0.11   0.09   0.03
     2   6    -0.01   0.01  -0.08     0.09  -0.01   0.06     0.02   0.01   0.19
     3   6    -0.00   0.03  -0.04     0.08  -0.02   0.01    -0.02  -0.01   0.11
     4   8     0.00   0.00   0.07     0.13   0.23  -0.01    -0.05  -0.11  -0.00
     5   8     0.03  -0.01   0.03    -0.08  -0.01  -0.05    -0.03  -0.01  -0.04
     6   7    -0.01  -0.01  -0.03    -0.20  -0.18  -0.04     0.03   0.10  -0.12
     7   8     0.02   0.05   0.01    -0.07  -0.11  -0.00    -0.04  -0.04  -0.10
     8   1    -0.01   0.05  -0.08     0.16   0.02   0.07     0.03  -0.15   0.19
     9   1    -0.02  -0.03   0.06     0.13   0.04  -0.02     0.09   0.04  -0.23
    10   1    -0.12  -0.08  -0.03     0.17   0.11   0.06     0.35   0.26   0.07
    11   1    -0.08  -0.03  -0.15     0.37   0.28  -0.13    -0.19  -0.16  -0.15
    12   1    -0.42  -0.48   0.18    -0.56  -0.28   0.05    -0.42  -0.01  -0.01
    13   1     0.48   0.24   0.43    -0.18  -0.06   0.12     0.52   0.12   0.05
    14   1     0.05  -0.02   0.00    -0.16   0.04  -0.01    -0.10   0.04   0.01
                      7                      8                      9
                      A                      A                      A
 Frequencies --    419.3471               548.9147               587.2677
 Red. masses --      4.7392                 4.5254                 1.7062
 Frc consts  --      0.4910                 0.8034                 0.3467
 IR Inten    --      3.5656                 4.9516                70.1023
 RamAct Fr= 1--      3.1635                 4.4423                 2.9897
  Dep-P Fr= 1--      0.4652                 0.0952                 0.7319
  Dep-U Fr= 1--      0.6350                 0.1739                 0.8452
 Alpha2 Fr= 1--      0.0182                 0.0787                 0.0009
 Beta2  Fr= 1--      0.3348                 0.1287                 0.4211
 AlphaG Fr= 1--      0.0096                -0.0293                 0.0004
 Gamma2 Fr= 1--      0.0706                 0.5144                -0.3206
 Delta2 Fr= 1--     -0.0771                 0.0993                -0.2434
 Raman1 Fr= 1--      12.654                 17.769                 11.959
 ROA1   Fr= 1--       4.307                 52.562                -38.565
 CID1   Fr= 1--       0.340                  2.958                 -3.225
 Raman2 Fr= 1--       4.017                  1.545                  5.054
 ROA2   Fr= 1--       2.311                 11.552                 -5.748
 CID2   Fr= 1--       0.575                  7.478                 -1.137
 Raman3 Fr= 1--       8.035                  3.090                 10.107
 ROA3   Fr= 1--       4.307                 52.562                -38.565
 CID3   Fr= 1--       0.536                 17.012                 -3.815
 RC180  Fr= 1--       0.270                 -0.652                  0.690
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.17  -0.12  -0.03    -0.11  -0.03  -0.02    -0.08  -0.06  -0.04
     2   6    -0.04   0.03   0.08    -0.07  -0.23   0.11    -0.09  -0.01   0.05
     3   6    -0.07   0.11   0.03    -0.06   0.03   0.16     0.04  -0.04   0.05
     4   8    -0.11   0.00   0.00    -0.07   0.15  -0.06     0.06   0.06  -0.02
     5   8     0.26  -0.14   0.03    -0.06   0.04   0.01     0.01  -0.01  -0.03
     6   7    -0.25  -0.05  -0.03     0.10  -0.17  -0.02    -0.04   0.11   0.00
     7   8     0.05   0.18  -0.05     0.22   0.15  -0.10     0.05  -0.05  -0.03
     8   1    -0.08   0.02   0.07    -0.14  -0.45   0.10    -0.17  -0.03   0.03
     9   1     0.18  -0.14  -0.08    -0.27   0.02  -0.23    -0.08  -0.06  -0.04
    10   1     0.25  -0.10  -0.02     0.02   0.14   0.01    -0.04  -0.07  -0.04
    11   1    -0.14   0.00   0.03     0.16   0.22  -0.00     0.14   0.08  -0.06
    12   1    -0.34   0.15  -0.08     0.13  -0.16  -0.03    -0.08   0.13   0.00
    13   1    -0.53  -0.10  -0.17     0.28  -0.22  -0.03     0.13   0.06  -0.01
    14   1     0.27  -0.14   0.02    -0.15   0.06  -0.28     0.43  -0.17   0.78
                     10                     11                     12
                      A                      A                      A
 Frequencies --    608.3009               742.7511               809.9999
 Red. masses --      1.8472                 4.6381                 3.3986
 Frc consts  --      0.4027                 1.5076                 1.3138
 IR Inten    --     55.4367                 7.3692                11.9337
 RamAct Fr= 1--      1.1996                 2.1428                 5.7084
  Dep-P Fr= 1--      0.6330                 0.0564                 0.0677
  Dep-U Fr= 1--      0.7753                 0.1067                 0.1269
 Alpha2 Fr= 1--      0.0025                 0.0417                 0.1081
 Beta2  Fr= 1--      0.1550                 0.0381                 0.1207
 AlphaG Fr= 1--     -0.0044                -0.0177                -0.0709
 Gamma2 Fr= 1--      0.1899                -0.2445                 0.0971
 Delta2 Fr= 1--      0.3441                 0.0879                 0.0906
 Raman1 Fr= 1--       4.799                  8.571                 22.834
 ROA1   Fr= 1--      29.241                -20.662                 12.224
 CID1   Fr= 1--       6.094                 -2.411                  0.535
 Raman2 Fr= 1--       1.860                  0.457                  1.449
 ROA2   Fr= 1--       1.804                 -6.571                  1.606
 CID2   Fr= 1--       0.970                -14.372                  1.109
 Raman3 Fr= 1--       3.720                  0.915                  2.897
 ROA3   Fr= 1--      29.241                -20.662                 12.224
 CID3   Fr= 1--       7.860                -22.593                  4.219
 RC180  Fr= 1--       0.551                 -0.787                 -0.746
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.05   0.04   0.06    -0.05  -0.01  -0.07    -0.10  -0.08  -0.01
     2   6     0.08  -0.02  -0.02     0.05   0.04  -0.08    -0.07  -0.10   0.15
     3   6    -0.03   0.05  -0.08     0.13   0.22   0.36     0.06   0.14  -0.18
     4   8    -0.06  -0.04   0.03     0.13  -0.10  -0.08     0.21  -0.05   0.02
     5   8    -0.08   0.02  -0.06    -0.01   0.01   0.01     0.02   0.01   0.00
     6   7     0.06  -0.12  -0.00     0.01  -0.10  -0.01    -0.02  -0.03   0.02
     7   8    -0.01   0.08  -0.01    -0.18   0.05  -0.10    -0.14   0.10   0.04
     8   1     0.24   0.01   0.01    -0.28  -0.30  -0.13     0.11   0.03   0.17
     9   1     0.04   0.03  -0.00     0.08   0.01   0.33    -0.33  -0.07  -0.46
    10   1     0.12   0.06   0.07    -0.37  -0.26  -0.12     0.22   0.24   0.05
    11   1    -0.13  -0.05   0.04    -0.21  -0.17   0.08    -0.19  -0.16  -0.16
    12   1     0.07  -0.12  -0.01     0.10  -0.19   0.00     0.07   0.18  -0.06
    13   1    -0.11  -0.09  -0.00    -0.14  -0.01   0.07     0.28  -0.22  -0.15
    14   1     0.24  -0.07   0.85     0.07  -0.03   0.16     0.10  -0.05  -0.18
                     13                     14                     15
                      A                      A                      A
 Frequencies --    847.2862               882.8782               996.1278
 Red. masses --      1.2732                 1.2175                 1.4783
 Frc consts  --      0.5385                 0.5591                 0.8642
 IR Inten    --    128.2856                81.4295                14.4389
 RamAct Fr= 1--      0.4073                 1.2326                 2.4294
  Dep-P Fr= 1--      0.7307                 0.5305                 0.3065
  Dep-U Fr= 1--      0.8444                 0.6933                 0.4692
 Alpha2 Fr= 1--      0.0001                 0.0052                 0.0244
 Beta2  Fr= 1--      0.0573                 0.1424                 0.1900
 AlphaG Fr= 1--     -0.0078                 0.0174                -0.0231
 Gamma2 Fr= 1--     -0.0433                -0.8468                -0.5530
 Delta2 Fr= 1--     -0.0790                -0.3144                -0.1506
 Raman1 Fr= 1--       1.629                  4.930                  9.718
 ROA1   Fr= 1--      -6.681                -91.353                -57.910
 CID1   Fr= 1--      -4.101                -18.529                 -5.959
 Raman2 Fr= 1--       0.688                  1.709                  2.280
 ROA2   Fr= 1--      -0.406                -17.808                -12.068
 CID2   Fr= 1--      -0.590                -10.420                 -5.294
 Raman3 Fr= 1--       1.376                  3.418                  4.559
 ROA3   Fr= 1--      -6.681                -91.353                -57.910
 CID3   Fr= 1--      -4.857                -26.727                -12.702
 RC180  Fr= 1--       0.689                  0.387                 -0.062
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04   0.02   0.03    -0.05  -0.03  -0.02    -0.06  -0.07   0.09
     2   6    -0.00  -0.04  -0.03     0.00   0.03   0.04     0.06  -0.01  -0.09
     3   6     0.00   0.01  -0.01    -0.00   0.00  -0.02     0.01   0.00   0.08
     4   8     0.01  -0.01  -0.04     0.01  -0.02  -0.03    -0.01  -0.00  -0.01
     5   8    -0.00  -0.00  -0.01     0.00   0.00   0.00    -0.00   0.01  -0.02
     6   7    -0.11   0.02  -0.02     0.09  -0.00  -0.03    -0.04   0.06   0.00
     7   8    -0.01   0.01   0.01    -0.01   0.00   0.02     0.01  -0.01  -0.02
     8   1     0.03  -0.09  -0.02    -0.00   0.04   0.04     0.45  -0.08  -0.02
     9   1     0.07   0.01   0.04    -0.09  -0.02  -0.10    -0.15  -0.14  -0.44
    10   1     0.05  -0.01   0.03     0.01   0.05  -0.01     0.24   0.35   0.15
    11   1     0.05   0.06   0.71     0.13   0.07   0.75     0.01  -0.00  -0.05
    12   1     0.42  -0.05  -0.06    -0.52  -0.07   0.07     0.17  -0.18   0.05
    13   1     0.50   0.03   0.14    -0.28   0.08  -0.01    -0.28   0.26   0.18
    14   1    -0.03   0.02   0.03     0.06  -0.03  -0.04     0.19  -0.11  -0.14
                     16                     17                     18
                      A                      A                      A
 Frequencies --   1057.1355              1089.4992              1116.0638
 Red. masses --      2.6144                 5.9180                 2.6208
 Frc consts  --      1.7214                 4.1388                 1.9233
 IR Inten    --     65.2682                96.9360                 6.1435
 RamAct Fr= 1--      1.8901                 2.7240                 1.7410
  Dep-P Fr= 1--      0.6630                 0.6551                 0.7315
  Dep-U Fr= 1--      0.7974                 0.7916                 0.8450
 Alpha2 Fr= 1--      0.0029                 0.0046                 0.0005
 Beta2  Fr= 1--      0.2512                 0.3594                 0.2452
 AlphaG Fr= 1--      0.0058                -0.0059                 0.0009
 Gamma2 Fr= 1--      0.7335                -0.1840                 0.0162
 Delta2 Fr= 1--      0.2193                -0.0501                -0.7621
 Raman1 Fr= 1--       7.560                 10.896                  6.964
 ROA1   Fr= 1--      77.432                -19.264                -22.829
 CID1   Fr= 1--      10.242                 -1.768                 -3.278
 Raman2 Fr= 1--       3.014                  4.313                  2.942
 ROA2   Fr= 1--      15.849                 -4.015                  6.486
 CID2   Fr= 1--       5.258                 -0.931                  2.205
 Raman3 Fr= 1--       6.028                  8.625                  5.884
 ROA3   Fr= 1--      77.432                -19.264                -22.829
 CID3   Fr= 1--      12.844                 -2.233                 -3.880
 RC180  Fr= 1--       0.595                  0.583                  0.690
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.13  -0.07  -0.13    -0.30   0.33   0.13    -0.05   0.06  -0.11
     2   6     0.21   0.14   0.08    -0.06   0.10   0.03     0.22  -0.21   0.03
     3   6     0.07   0.00   0.03     0.02  -0.01   0.02    -0.03   0.00  -0.03
     4   8    -0.12   0.01   0.01    -0.01   0.01  -0.00     0.00  -0.02   0.01
     5   8    -0.02   0.03   0.03     0.23  -0.28  -0.14     0.01  -0.03   0.00
     6   7    -0.06  -0.07   0.01     0.04  -0.08  -0.02    -0.07   0.13   0.06
     7   8     0.03  -0.04  -0.00     0.01  -0.01  -0.00    -0.01   0.04  -0.00
     8   1     0.28   0.46   0.10     0.32   0.15   0.09     0.37  -0.35   0.05
     9   1     0.02  -0.14  -0.12    -0.37   0.35   0.10    -0.31   0.26   0.20
    10   1    -0.19   0.03  -0.13    -0.18   0.17   0.10    -0.20  -0.30  -0.16
    11   1    -0.10   0.01   0.07    -0.04  -0.00   0.02     0.03  -0.01  -0.02
    12   1     0.05   0.26  -0.10     0.21  -0.12  -0.03    -0.24   0.15   0.08
    13   1     0.46  -0.25  -0.10     0.10  -0.06   0.02    -0.17   0.15   0.04
    14   1     0.24  -0.13  -0.12    -0.19  -0.03   0.13    -0.25   0.13   0.14
                     19                     20                     21
                      A                      A                      A
 Frequencies --   1187.2956              1224.4076              1228.1261
 Red. masses --      1.6001                 1.2223                 2.5571
 Frc consts  --      1.3289                 1.0797                 2.2724
 IR Inten    --      5.3990                23.7611                 6.3459
 RamAct Fr= 1--      2.5330                 1.6733                 8.5012
  Dep-P Fr= 1--      0.3199                 0.6435                 0.3799
  Dep-U Fr= 1--      0.4847                 0.7831                 0.5506
 Alpha2 Fr= 1--      0.0245                 0.0032                 0.0676
 Beta2  Fr= 1--      0.2046                 0.2184                 0.7801
 AlphaG Fr= 1--     -0.0097                 0.0087                 0.0021
 Gamma2 Fr= 1--      0.7293                 0.0454                -1.8016
 Delta2 Fr= 1--      0.1777                 1.0007                -1.0272
 Raman1 Fr= 1--      10.132                  6.693                 34.005
 ROA1   Fr= 1--      75.704                 36.382               -205.820
 CID1   Fr= 1--       7.472                  5.436                 -6.053
 Raman2 Fr= 1--       2.455                  2.621                  9.362
 ROA2   Fr= 1--      16.082                 -6.916                -35.020
 CID2   Fr= 1--       6.550                 -2.639                 -3.741
 Raman3 Fr= 1--       4.911                  5.241                 18.723
 ROA3   Fr= 1--      75.704                 36.382               -205.820
 CID3   Fr= 1--      15.415                  6.941                -10.993
 RC180  Fr= 1--      -0.031                  0.566                  0.101
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.03  -0.11     0.04  -0.04  -0.01     0.04  -0.01   0.01
     2   6    -0.05   0.11   0.12    -0.04   0.00  -0.07    -0.07  -0.04  -0.02
     3   6    -0.03  -0.02  -0.03    -0.04  -0.00   0.08     0.27   0.10  -0.05
     4   8     0.02   0.00   0.00     0.02  -0.01  -0.01    -0.13   0.07   0.01
     5   8    -0.00   0.02   0.04     0.01   0.01   0.02    -0.00  -0.00   0.01
     6   7     0.01  -0.02  -0.07     0.01  -0.01   0.01     0.01   0.01   0.01
     7   8     0.00  -0.01   0.01    -0.00   0.00  -0.01     0.03  -0.10   0.01
     8   1     0.34  -0.23   0.18     0.26   0.52  -0.02    -0.04  -0.19  -0.02
     9   1    -0.11   0.08   0.09    -0.44   0.20  -0.05    -0.34   0.17  -0.02
    10   1     0.23  -0.36  -0.10     0.36  -0.24   0.01     0.18  -0.16   0.02
    11   1     0.04   0.00  -0.04     0.10   0.02   0.02    -0.74  -0.10   0.14
    12   1     0.44  -0.39  -0.02    -0.11   0.12  -0.01    -0.07  -0.04   0.03
    13   1    -0.23   0.25   0.21     0.15  -0.12  -0.09    -0.13   0.00  -0.03
    14   1    -0.09   0.06   0.05    -0.29   0.18   0.16    -0.14   0.07   0.04
                     22                     23                     24
                      A                      A                      A
 Frequencies --   1315.7429              1377.8889              1391.0595
 Red. masses --      1.3204                 1.2255                 1.3295
 Frc consts  --      1.3467                 1.3708                 1.5157
 IR Inten    --      4.1203                15.7760                12.0482
 RamAct Fr= 1--      6.1511                 1.4444                 5.1621
  Dep-P Fr= 1--      0.6398                 0.3698                 0.7410
  Dep-U Fr= 1--      0.7803                 0.5400                 0.8513
 Alpha2 Fr= 1--      0.0122                 0.0119                 0.0008
 Beta2  Fr= 1--      0.8000                 0.1300                 0.7324
 AlphaG Fr= 1--     -0.0061                 0.0314                 0.0022
 Gamma2 Fr= 1--     -0.6474                 0.3017                 1.8728
 Delta2 Fr= 1--     -0.2851                -0.2125                -0.4389
 Raman1 Fr= 1--      24.604                  5.777                 20.649
 ROA1   Fr= 1--     -71.269                 22.161                165.748
 CID1   Fr= 1--      -2.897                  3.836                  8.027
 Raman2 Fr= 1--       9.600                  1.560                  8.789
 ROA2   Fr= 1--     -13.256                  8.941                 48.459
 CID2   Fr= 1--      -1.381                  5.732                  5.514
 Raman3 Fr= 1--      19.200                  3.120                 17.577
 ROA3   Fr= 1--     -71.269                 22.161                165.748
 CID3   Fr= 1--      -3.712                  7.104                  9.430
 RC180  Fr= 1--       0.561                  0.080                  0.703
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.05  -0.04    -0.08   0.06  -0.00    -0.03   0.07  -0.01
     2   6    -0.13  -0.06  -0.02     0.01   0.04  -0.06     0.03  -0.12   0.04
     3   6     0.01   0.00   0.03     0.02  -0.01  -0.01     0.00  -0.01   0.01
     4   8     0.01   0.01  -0.01    -0.02  -0.01   0.00     0.01   0.01  -0.00
     5   8    -0.01   0.00   0.01    -0.02  -0.01   0.03    -0.03  -0.01   0.02
     6   7     0.02   0.01   0.03     0.00  -0.01   0.04     0.00   0.02  -0.05
     7   8     0.00  -0.00  -0.00    -0.01   0.02   0.00     0.00   0.01  -0.00
     8   1     0.74   0.09   0.11    -0.06  -0.38  -0.08    -0.29   0.66   0.00
     9   1     0.47  -0.15   0.13     0.15  -0.04   0.05     0.12   0.01   0.10
    10   1    -0.14  -0.05  -0.07     0.69  -0.34   0.05     0.28  -0.19   0.01
    11   1    -0.17  -0.03   0.05     0.18   0.03  -0.03    -0.17  -0.03   0.01
    12   1    -0.14   0.04   0.04    -0.15   0.14   0.01     0.18  -0.18  -0.02
    13   1     0.03  -0.10  -0.09     0.14  -0.13  -0.09    -0.20   0.18   0.10
    14   1     0.17  -0.10  -0.10     0.22  -0.14  -0.12     0.28  -0.19  -0.14
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1410.5294              1455.8720              1510.7726
 Red. masses --      1.6742                 1.2637                 1.0914
 Frc consts  --      1.9626                 1.5781                 1.4676
 IR Inten    --    473.2261                25.1377                 1.0670
 RamAct Fr= 1--      1.6254                 3.8800                 4.9330
  Dep-P Fr= 1--      0.2166                 0.3745                 0.7328
  Dep-U Fr= 1--      0.3561                 0.5449                 0.8458
 Alpha2 Fr= 1--      0.0211                 0.0314                 0.0015
 Beta2  Fr= 1--      0.0965                 0.3524                 0.6954
 AlphaG Fr= 1--     -0.0216                -0.0381                 0.0048
 Gamma2 Fr= 1--     -0.0373                 1.4835                -0.8562
 Delta2 Fr= 1--      0.0239                -0.0526                -0.2203
 Raman1 Fr= 1--       6.502                 15.520                 19.732
 ROA1   Fr= 1--      -2.813                140.731                -89.242
 CID1   Fr= 1--      -0.433                  9.068                 -4.523
 Raman2 Fr= 1--       1.157                  4.228                  8.345
 ROA2   Fr= 1--      -1.085                 36.024                -18.786
 CID2   Fr= 1--      -0.938                  8.520                 -2.251
 Raman3 Fr= 1--       2.315                  8.457                 16.689
 ROA3   Fr= 1--      -2.813                140.731                -89.242
 CID3   Fr= 1--      -1.215                 16.642                 -5.347
 RC180  Fr= 1--      -0.288                  0.090                  0.692
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.05   0.02  -0.00     0.10   0.03  -0.00    -0.02  -0.06  -0.06
     2   6    -0.06  -0.04   0.02    -0.01   0.04  -0.01    -0.01  -0.01  -0.00
     3   6     0.16   0.04  -0.02    -0.05  -0.02   0.01     0.01   0.00  -0.00
     4   8    -0.10  -0.06   0.02     0.03   0.01  -0.01    -0.00  -0.00   0.00
     5   8    -0.02  -0.01   0.00    -0.05  -0.03   0.01     0.00  -0.00  -0.00
     6   7     0.00   0.02  -0.01    -0.00  -0.01   0.01    -0.00   0.01   0.00
     7   8    -0.05   0.03  -0.00     0.01   0.00   0.00    -0.00   0.00   0.00
     8   1     0.08   0.13   0.04     0.06  -0.12  -0.01     0.03   0.01   0.00
     9   1    -0.13   0.11   0.01    -0.51   0.38   0.09    -0.02   0.13   0.70
    10   1    -0.18   0.00  -0.03    -0.16   0.04  -0.04     0.30   0.63   0.06
    11   1     0.87   0.15  -0.14    -0.15  -0.03   0.03     0.02   0.00  -0.00
    12   1     0.07  -0.10   0.01    -0.03   0.05  -0.00     0.00  -0.03   0.01
    13   1    -0.01   0.02  -0.01     0.05  -0.04  -0.01    -0.01  -0.01  -0.02
    14   1     0.15  -0.11  -0.09     0.53  -0.38  -0.26    -0.03   0.01   0.01
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1659.5540              1813.2356              2953.1900
 Red. masses --      1.0927                 9.0078                 1.0715
 Frc consts  --      1.7732                17.4492                 5.5058
 IR Inten    --     36.8573               286.1655                60.0939
 RamAct Fr= 1--      4.4215                15.9989               135.1244
  Dep-P Fr= 1--      0.6255                 0.1846                 0.1413
  Dep-U Fr= 1--      0.7696                 0.3117                 0.2476
 Alpha2 Fr= 1--      0.0100                 0.2262                 2.1352
 Beta2  Fr= 1--      0.5671                 0.8311                 5.5771
 AlphaG Fr= 1--      0.0001                 0.1490                -0.2144
 Gamma2 Fr= 1--     -0.1567                 1.2700                -5.2367
 Delta2 Fr= 1--     -0.1129                 0.2943                -1.3279
 Raman1 Fr= 1--      17.686                 63.995                540.498
 ROA1   Fr= 1--     -18.662                131.339               -545.220
 CID1   Fr= 1--      -1.055                  2.052                 -1.009
 Raman2 Fr= 1--       6.805                  9.973                 66.925
 ROA2   Fr= 1--      -2.859                 28.126               -115.058
 CID2   Fr= 1--      -0.420                  2.820                 -1.719
 Raman3 Fr= 1--      13.611                 19.946                133.850
 ROA3   Fr= 1--     -18.662                131.339               -545.220
 CID3   Fr= 1--      -1.371                  6.585                 -4.073
 RC180  Fr= 1--       0.539                 -0.377                 -0.505
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00    -0.02   0.03  -0.00     0.00  -0.00  -0.08
     2   6    -0.03  -0.01  -0.01     0.01  -0.05   0.00    -0.00  -0.00   0.01
     3   6     0.01   0.00  -0.00    -0.29   0.62  -0.05     0.00   0.00  -0.00
     4   8    -0.00  -0.00   0.00     0.00  -0.07   0.01    -0.00  -0.00   0.00
     5   8    -0.00  -0.00   0.00    -0.00  -0.01   0.00     0.00  -0.00  -0.00
     6   7     0.02  -0.07  -0.02     0.00  -0.01   0.00    -0.00   0.00  -0.00
     7   8    -0.00   0.00   0.00     0.17  -0.38   0.03    -0.00  -0.00   0.00
     8   1     0.03  -0.01   0.00    -0.02   0.04  -0.00     0.02   0.00  -0.08
     9   1     0.02   0.00   0.03     0.08   0.01   0.07     0.07   0.14  -0.05
    10   1     0.01   0.01  -0.00     0.06  -0.01  -0.00    -0.12  -0.09   0.97
    11   1     0.03   0.00  -0.02     0.50   0.14  -0.09    -0.00   0.00  -0.00
    12   1    -0.04   0.68  -0.22    -0.01   0.01  -0.00    -0.00   0.01   0.00
    13   1    -0.03   0.42   0.56     0.03  -0.01   0.01    -0.00   0.00   0.00
    14   1    -0.00   0.00  -0.00     0.15  -0.14  -0.04    -0.00  -0.01   0.00
                     31                     32                     33
                      A                      A                      A
 Frequencies --   3050.9044              3068.3577              3446.5464
 Red. masses --      1.0826                 1.0919                 1.0639
 Frc consts  --      5.9370                 6.0568                 7.4459
 IR Inten    --     12.5336                29.9083               244.5016
 RamAct Fr= 1--     61.1179               109.0254                86.8058
  Dep-P Fr= 1--      0.4058                 0.1976                 0.0721
  Dep-U Fr= 1--      0.5773                 0.3299                 0.1345
 Alpha2 Fr= 1--      0.4434                 1.4902                 1.6263
 Beta2  Fr= 1--      5.8804                 5.9952                 1.9461
 AlphaG Fr= 1--     -0.0214                 0.8417                -0.1387
 Gamma2 Fr= 1--     -0.4241                 7.8929                 0.1028
 Delta2 Fr= 1--     -1.8415                 3.5956                 1.2947
 Raman1 Fr= 1--     244.472                436.102                347.223
 ROA1   Fr= 1--     -99.638                872.779                 51.300
 CID1   Fr= 1--      -0.408                  2.001                  0.148
 Raman2 Fr= 1--      70.565                 71.942                 23.353
 ROA2   Fr= 1--       4.555                160.665                 -7.891
 CID2   Fr= 1--       0.065                  2.233                 -0.338
 Raman3 Fr= 1--     141.130                143.884                 46.706
 ROA3   Fr= 1--     -99.638                872.779                 51.300
 CID3   Fr= 1--      -0.706                  6.066                  1.098
 RC180  Fr= 1--       0.155                 -0.340                 -0.731
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.02   0.00    -0.04  -0.07   0.03     0.00  -0.00   0.00
     2   6     0.01   0.00  -0.08    -0.00  -0.00   0.02    -0.00   0.00   0.00
     3   6     0.00   0.00  -0.00     0.00  -0.00   0.00     0.01  -0.01  -0.00
     4   8    -0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.01  -0.06   0.00
     5   8     0.00   0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     6   7     0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.01  -0.00
     7   8     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     8   1    -0.14  -0.02   0.94     0.04   0.01  -0.29     0.00  -0.00  -0.00
     9   1     0.13   0.26  -0.06     0.43   0.81  -0.19    -0.00  -0.00  -0.00
    10   1    -0.01  -0.01   0.03     0.01   0.00  -0.15     0.00   0.00  -0.00
    11   1    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.24   0.95  -0.07
    12   1    -0.01  -0.00  -0.01     0.00  -0.00   0.00     0.01   0.03   0.10
    13   1     0.00   0.01  -0.01    -0.00  -0.00   0.00     0.02   0.07  -0.06
    14   1    -0.01  -0.01   0.00    -0.02  -0.01   0.01    -0.01  -0.02   0.00
                     34                     35                     36
                      A                      A                      A
 Frequencies --   3493.6018              3583.5728              3672.7407
 Red. masses --      1.0522                 1.0915                 1.0656
 Frc consts  --      7.5664                 8.2586                 8.4686
 IR Inten    --      0.8127                11.6996               146.3411
 RamAct Fr= 1--     99.2394                68.2702                49.0365
  Dep-P Fr= 1--      0.0938                 0.5225                 0.0848
  Dep-U Fr= 1--      0.1716                 0.6864                 0.1564
 Alpha2 Fr= 1--      1.7639                 0.3022                 0.8909
 Beta2  Fr= 1--      2.8375                 7.8102                 1.2780
 AlphaG Fr= 1--      0.0355                 0.2590                -0.2492
 Gamma2 Fr= 1--     -0.7774                 1.1843                -1.2147
 Delta2 Fr= 1--     -0.2432                -2.2761                -1.5944
 Raman1 Fr= 1--     396.957                273.081                196.146
 ROA1   Fr= 1--     -82.416                 40.853               -167.636
 CID1   Fr= 1--      -0.208                  0.150                 -0.855
 Raman2 Fr= 1--      34.050                 93.722                 15.336
 ROA2   Fr= 1--     -16.712                 46.631                -16.398
 CID2   Fr= 1--      -0.491                  0.498                 -1.069
 Raman3 Fr= 1--      68.100                187.444                 30.672
 ROA3   Fr= 1--     -82.416                 40.853               -167.636
 CID3   Fr= 1--      -1.210                  0.218                 -5.466
 RC180  Fr= 1--      -0.657                  0.373                 -0.687
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     2   6    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     3   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     4   8    -0.00   0.01  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     5   8    -0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.03  -0.05   0.00
     6   7    -0.01  -0.04  -0.04    -0.00  -0.04   0.07    -0.00   0.00  -0.00
     7   8     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     8   1    -0.00   0.00   0.01     0.00   0.00  -0.01     0.00  -0.00   0.00
     9   1     0.00   0.00   0.00     0.00   0.00   0.00     0.01   0.02  -0.00
    10   1     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.01
    11   1     0.03  -0.13   0.01     0.01  -0.02   0.00    -0.00   0.02  -0.00
    12   1     0.11   0.24   0.83    -0.08  -0.15  -0.44     0.00   0.00   0.00
    13   1     0.06   0.36  -0.31     0.14   0.68  -0.53    -0.00  -0.01   0.00
    14   1     0.00   0.01  -0.00     0.00   0.01  -0.00     0.47   0.87  -0.07

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  8 and mass  15.99491
 Atom     5 has atomic number  8 and mass  15.99491
 Atom     6 has atomic number  7 and mass  14.00307
 Atom     7 has atomic number  8 and mass  15.99491
 Atom     8 has atomic number  1 and mass   1.00783
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Molecular mass:   105.04259 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   496.33169 752.321951186.52001
           X            0.99947  -0.03182   0.00685
           Y            0.03179   0.99948   0.00481
           Z           -0.00700  -0.00459   0.99996
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.17451     0.11513     0.07300
 Rotational constants (GHZ):           3.63616     2.39889     1.52104
 Zero-point vibrational energy     299081.9 (Joules/Mol)
                                   71.48228 (Kcal/Mol)
 Warning -- explicit consideration of  10 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     99.82   238.64   337.48   427.00   478.40
          (Kelvin)            510.10   603.35   789.77   844.95   875.21
                             1068.65  1165.41  1219.06  1270.26  1433.21
                             1520.98  1567.55  1605.77  1708.25  1761.65
                             1767.00  1893.06  1982.47  2001.42  2029.44
                             2094.68  2173.66  2387.73  2608.84  4248.98
                             4389.57  4414.68  4958.81  5026.51  5155.96
                             5284.25
 
 Zero-point correction=                           0.113914 (Hartree/Particle)
 Thermal correction to Energy=                    0.121140
 Thermal correction to Enthalpy=                  0.122084
 Thermal correction to Gibbs Free Energy=         0.082444
 Sum of electronic and zero-point Energies=           -399.042285
 Sum of electronic and thermal Energies=              -399.035060
 Sum of electronic and thermal Enthalpies=            -399.034116
 Sum of electronic and thermal Free Energies=         -399.073756
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                   76.016             26.125             83.429
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             39.865
 Rotational               0.889              2.981             27.585
 Vibrational             74.239             20.163             15.980
 Vibration     1          0.598              1.969              4.171
 Vibration     2          0.624              1.884              2.482
 Vibration     3          0.654              1.788              1.844
 Vibration     4          0.690              1.680              1.435
 Vibration     5          0.714              1.611              1.248
 Vibration     6          0.730              1.566              1.146
 Vibration     7          0.782              1.428              0.894
 Vibration     8          0.904              1.142              0.546
 Vibration     9          0.944              1.059              0.472
 Vibration    10          0.967              1.014              0.436
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.119821D-37        -37.921468        -87.317407
 Total V=0       0.298823D+15         14.475414         33.330872
 Vib (Bot)       0.118839D-50        -50.925041       -117.259240
 Vib (Bot)    1  0.297307D+01          0.473206          1.089597
 Vib (Bot)    2  0.121663D+01          0.085159          0.196086
 Vib (Bot)    3  0.838002D+00         -0.076755         -0.176734
 Vib (Bot)    4  0.641960D+00         -0.192492         -0.443229
 Vib (Bot)    5  0.561070D+00         -0.250983         -0.577910
 Vib (Bot)    6  0.518861D+00         -0.284949         -0.656120
 Vib (Bot)    7  0.418929D+00         -0.377860         -0.870054
 Vib (Bot)    8  0.286193D+00         -0.543341         -1.251088
 Vib (Bot)    9  0.257585D+00         -0.589080         -1.356406
 Vib (Bot)   10  0.243372D+00         -0.613730         -1.413165
 Vib (V=0)       0.296374D+02          1.471841          3.389038
 Vib (V=0)    1  0.351483D+01          0.545904          1.256990
 Vib (V=0)    2  0.181537D+01          0.258965          0.596288
 Vib (V=0)    3  0.147583D+01          0.169037          0.389222
 Vib (V=0)    4  0.131370D+01          0.118497          0.272850
 Vib (V=0)    5  0.125153D+01          0.097442          0.224368
 Vib (V=0)    6  0.122057D+01          0.086562          0.199315
 Vib (V=0)    7  0.115230D+01          0.061567          0.141764
 Vib (V=0)    8  0.107611D+01          0.031858          0.073356
 Vib (V=0)    9  0.106245D+01          0.026308          0.060578
 Vib (V=0)   10  0.105608D+01          0.023699          0.054568
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.423157D+08          7.626502         17.560670
 Rotational      0.238271D+06          5.377071         12.381164
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3   3  33            33  2                                       1    1    1 1111 1 111  111                                    
     6   5  44            00  9                                       8    6    5 4433 3 221  100 9   888  7   65 5   4 332 2  1     
     7   8  94            65  5                                       1    6    1 5197 1 228  185 9   841  4   08 4   1 539 3  6  6  
     3   4  47            81  3                                       3    0    1 6118 6 847  697 6   370  3   87 9   9 537 5  6  9  
 
     X   X  XX            XX  X                                       X    X    X XXXX X XXX  XXX X   XXX  X   XX X   X XXX X  X  X  
     X       X                X                                       X    X       X           XX     XX       XX                    
     X       X                X                                       X            X           XX     XX        X                    
     X       X                                                        X            X           X       X                             
     X       X                                                        X            X                   X                             
     X       X                                                        X            X                                                 
             X                                                        X            X                                                 
             X                                                        X            X                                                 
             X                                                        X            X                                                 
             X                                                        X            X                                                 
                                                                      X            X                                                 
                                                                      X            X                                                 
                                                                                   X                                                 
                                                                                   X                                                 
                                                                                   X                                                 
                                                                                   X                                                 
                                                                                   X                                                 
                                                                                   X                                                 
                                                                                   X                                                 
                                                                                   X                                                 
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000047074   -0.000055048   -0.000003350
      2        6          -0.000081133   -0.000015703    0.000054424
      3        6           0.000043205    0.000102134   -0.000058742
      4        8          -0.000035846    0.000040468    0.000017133
      5        8           0.000014835    0.000049545    0.000020695
      6        7           0.000012968   -0.000034489   -0.000013704
      7        8          -0.000013682   -0.000048134    0.000012415
      8        1          -0.000002391    0.000010917   -0.000009871
      9        1           0.000002451   -0.000002112   -0.000010652
     10        1           0.000016201    0.000007962    0.000004619
     11        1           0.000003030   -0.000058977   -0.000004660
     12        1           0.000008135   -0.000005380   -0.000009774
     13        1           0.000001139   -0.000002149   -0.000003417
     14        1          -0.000015984    0.000010967    0.000004884
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000102134 RMS     0.000033141
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.662035D+02 -0.269709D+01 -0.409917D+00
      2  -0.269709D+01  0.655708D+02  0.397616D+00
      3  -0.409917D+00  0.397616D+00  0.484242D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.156007D+01 -0.241394D+01 -0.134451D+02
      2   0.739855D+00  0.261481D+01  0.855001D+01
      3   0.101058D+02  0.471425D+01 -0.132577D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.120143D+01 -0.206206D+02 -0.385762D+01
      2   0.350713D+01  0.295479D+02 -0.810514D+00
      3  -0.230570D+01 -0.892726D+01  0.466813D+01
      4   0.168407D+02  0.692301D+01  0.559175D+01
      5   0.327051D+01  0.427277D+01  0.161556D+02
      6   0.172487D+01  0.204318D+01  0.316614D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    42 ND12= 1 LenFil=    1515:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.312308D+01  0.103394D+01  0.166289D+01 -0.297034D+00 -0.498506D+01
      2   0.103394D+01 -0.223111D+01  0.734937D+00 -0.498506D+01 -0.428064D+01
      3   0.166289D+01  0.734937D+00  0.229741D+01 -0.138820D+00  0.714581D+00
                 6             7             8             9            10 
      1  -0.138820D+00  0.264268D+01  0.193816D+00  0.126618D+01 -0.370894D+01
      2   0.714581D+00  0.193816D+00  0.104929D+01 -0.115267D+01 -0.523503D+00
      3  -0.418324D+00  0.126618D+01 -0.115267D+01 -0.896497D+01 -0.115080D+01
                11            12            13            14            15 
      1  -0.523503D+00 -0.115080D+01 -0.129213D+01  0.335083D+01  0.219482D+00
      2   0.264107D+01 -0.342965D-01  0.335083D+01  0.134128D+01  0.871026D-02
      3  -0.342965D-01 -0.143146D+01  0.219482D+00  0.871026D-02  0.490693D+00
                16            17            18            19            20 
      1  -0.229367D+01  0.168574D+00 -0.120981D+01  0.116805D+01  0.111379D+00
      2   0.168574D+00  0.219589D+00 -0.330691D+00  0.111379D+00 -0.535435D+01
      3  -0.120981D+01 -0.330691D+00  0.701811D+01  0.266506D-01  0.612780D-01
                21            22            23            24            25 
      1   0.266506D-01  0.326960D+01 -0.325452D+01 -0.101777D+00 -0.736790D+00
      2   0.612780D-01 -0.325452D+01  0.364873D+01 -0.511001D+00 -0.246820D+00
      3  -0.779093D+00 -0.101777D+00 -0.511001D+00  0.329647D+00 -0.435940D+00
                26            27            28            29            30 
      1  -0.246820D+00 -0.435940D+00 -0.754295D+01 -0.941921D+00  0.262077D+00
      2   0.209481D+00  0.959945D-01 -0.941921D+00  0.894942D+00 -0.621596D-01
      3   0.959945D-01 -0.643534D+00  0.262077D+00 -0.621596D-01 -0.100499D+01
                31            32            33            34            35 
      1  -0.368316D+01 -0.202969D+01  0.128461D+00  0.120608D+01  0.445838D+00
      2  -0.202969D+01 -0.602850D+01  0.287995D+00  0.445838D+00  0.478469D+00
      3   0.128461D+00  0.287995D+00 -0.245044D+00 -0.215381D+01 -0.108847D+00
                36            37            38            39            40 
      1  -0.215381D+01  0.785533D+01 -0.228056D+01 -0.109133D+01  0.101182D+01
      2  -0.108847D+00 -0.228056D+01  0.273324D+01 -0.131418D+00  0.447356D+01
      3   0.528281D+00 -0.109133D+01 -0.131418D+00  0.310357D+00 -0.143963D+00
                41            42            43            44            45 
      1   0.447356D+01 -0.143963D+00 -0.177929D+01  0.563296D+00  0.128867D+01
      2   0.105996D+01 -0.122415D+00  0.563296D+00 -0.782656D+00 -0.614284D+00
      3  -0.122415D+00  0.109204D+01  0.128867D+01 -0.614284D+00 -0.255187D+00
                46            47            48            49            50 
      1  -0.212799D+01  0.252773D+01  0.590291D+00  0.200833D+01 -0.284837D+01
      2   0.252773D+01 -0.347322D+01  0.318532D+00 -0.284837D+01 -0.322252D+01
      3   0.590291D+00  0.318532D+00 -0.841090D+00  0.312034D+00  0.859742D+00
                51            52            53            54            55 
      1   0.312034D+00  0.452300D+00  0.373491D+00 -0.695196D+00  0.446269D+01
      2   0.859742D+00  0.373491D+00  0.111803D+01 -0.269078D+01 -0.234570D+01
      3  -0.243850D+01 -0.695196D+00 -0.269078D+01 -0.352156D+01  0.111165D+00
                56            57            58            59            60 
      1  -0.234570D+01  0.111165D+00 -0.490768D+01  0.234924D+01  0.880595D-02
      2   0.274128D+01 -0.151799D+00  0.234924D+01 -0.122032D+02  0.390081D+00
      3  -0.151799D+00  0.129852D+01  0.880595D-02  0.390081D+00 -0.203339D+01
                61            62            63            64            65 
      1   0.457294D+00 -0.171220D+00  0.100309D+01  0.138975D+01  0.340293D+00
      2  -0.171220D+00  0.416434D+00 -0.294281D+01  0.340293D+00 -0.119133D+00
      3   0.100309D+01 -0.294281D+01  0.693055D+00 -0.106063D+01  0.318978D-01
                66            67            68            69            70 
      1  -0.106063D+01  0.236422D+00 -0.528478D+00 -0.508464D-01 -0.136572D+01
      2   0.318978D-01 -0.528478D+00  0.311780D+00 -0.101773D+01 -0.303909D-01
      3   0.126657D+01 -0.508464D-01 -0.101773D+01  0.141702D+00  0.669661D+00
                71            72            73            74            75 
      1  -0.303909D-01  0.669661D+00  0.284211D+01  0.203913D+01 -0.510311D+00
      2  -0.181415D+01  0.738441D+00  0.203913D+01  0.237804D+01 -0.156116D+00
      3   0.738441D+00 -0.851061D+01 -0.510311D+00 -0.156116D+00  0.521507D+00
                76            77            78            79            80 
      1   0.319979D+01  0.340556D+01  0.184007D-01 -0.106871D+01 -0.377353D+00
      2   0.340556D+01  0.692174D+01 -0.491198D+00 -0.377353D+00 -0.126980D+01
      3   0.184007D-01 -0.491198D+00  0.799360D+00  0.652257D+00  0.105077D+01
                81            82            83            84            85 
      1   0.652257D+00 -0.666049D+00  0.214546D+00  0.114444D+01 -0.338853D+00
      2   0.105077D+01  0.214546D+00  0.743664D-01 -0.344719D+00  0.468356D+00
      3   0.321696D+00  0.114444D+01 -0.344719D+00 -0.128148D+01 -0.579438D-01
                86            87            88            89            90 
      1   0.468356D+00 -0.579438D-01  0.167805D+01 -0.333291D+00  0.117102D+00
      2   0.408044D+00  0.110894D+01 -0.333291D+00  0.137508D+01  0.103174D+01
      3   0.110894D+01 -0.316138D+00  0.117102D+00  0.103174D+01  0.964285D+01
                91            92            93            94            95 
      1  -0.333780D+01  0.828154D+00 -0.113288D+00  0.383744D+01  0.217449D+00
      2   0.828154D+00 -0.802169D+00  0.441536D-02  0.217449D+00  0.598948D+01
      3  -0.113288D+00  0.441536D-02 -0.830095D+00 -0.242304D+00 -0.179198D+00
                96            97            98            99           100 
      1  -0.242304D+00 -0.273667D+00 -0.114047D+00 -0.885615D+00 -0.462258D+00
      2  -0.179198D+00 -0.114047D+00 -0.434972D+00  0.128098D+00 -0.503565D-01
      3   0.475959D+00 -0.885615D+00  0.128098D+00 -0.163236D-01  0.229518D+00
               101           102           103           104           105 
      1  -0.503565D-01  0.229518D+00  0.106579D+00 -0.129513D+00 -0.163549D-01
      2   0.441552D+00  0.205051D+00 -0.129513D+00  0.236285D+01  0.149964D+01
      3   0.205051D+00  0.333315D+00 -0.163549D-01  0.149964D+01  0.152239D+01
               106           107           108           109           110 
      1   0.146138D+01 -0.384330D+00 -0.135103D+00 -0.391758D+00  0.378517D+00
      2  -0.384330D+00  0.322140D+01  0.291800D+01  0.378517D+00  0.891389D+00
      3  -0.135103D+00  0.291800D+01  0.596914D+01 -0.285395D+00 -0.306445D+00
               111           112           113           114           115 
      1  -0.285395D+00  0.886917D+00  0.125585D+00 -0.892921D-01 -0.956931D+00
      2  -0.306445D+00  0.125585D+00  0.842611D+01 -0.232541D+01 -0.229601D+00
      3   0.362388D+00 -0.892921D-01 -0.232541D+01  0.187702D+01  0.850939D-01
               116           117           118           119           120 
      1  -0.229601D+00  0.850939D-01 -0.260326D+01 -0.133165D+01  0.184729D+00
      2  -0.421746D+01  0.238210D+01 -0.133165D+01 -0.815893D+00 -0.169158D+00
      3   0.238210D+01 -0.201296D+01  0.184729D+00 -0.169158D+00 -0.221866D+00
               121           122           123           124           125 
      1  -0.403804D+01 -0.614953D+00  0.154120D+00  0.577001D+00  0.142038D+00
      2  -0.614953D+00 -0.473512D+01 -0.222742D+00  0.142038D+00  0.431261D+00
      3   0.154120D+00 -0.222742D+00 -0.127742D+01  0.433425D+00 -0.505063D+00
               126 
      1   0.433425D+00
      2  -0.505063D+00
      3  -0.247977D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.312297D+01 -0.291415D+01 -0.370921D+01 -0.235122D+01 -0.322762D+01
      2   0.409080D+01  0.160611D+01  0.358836D+01 -0.228320D+00  0.253342D+01
      3   0.488395D+01  0.471195D+01  0.873019D+00  0.110969D+02  0.613219D+00
                 6             7             8             9            10 
      1   0.410265D+00 -0.167660D+01  0.234288D+01  0.839753D+01  0.209524D+01
      2   0.123892D+01 -0.151990D+01 -0.162572D+01 -0.103429D+02 -0.721631D+00
      3  -0.171887D+01  0.204270D+01 -0.976771D+00  0.320233D+01 -0.301141D+01
                11            12            13            14            15 
      1  -0.364325D+00 -0.271801D+00 -0.270470D+01  0.101318D+01 -0.289256D+01
      2  -0.135072D+01  0.118900D+01  0.185185D+01  0.109997D+01  0.293893D+01
      3  -0.470017D+01 -0.118170D+01  0.432041D+00 -0.186040D+01  0.543462D+00
                16            17            18            19            20 
      1   0.109849D+01  0.382679D+01 -0.154847D+01  0.210330D+00  0.169532D+01
      2  -0.517457D+01  0.147179D+01  0.983073D+00 -0.522612D+00 -0.207450D+01
      3  -0.363253D+01  0.363587D+00 -0.775378D+00  0.931004D+00 -0.592368D+01
                21            22            23            24            25 
      1  -0.192825D+01  0.213561D+01  0.232091D+01  0.836840D+01  0.326240D+01
      2  -0.673720D+01 -0.249752D+01  0.111709D+01  0.710225D+00 -0.140535D+02
      3   0.160414D+01 -0.725949D+01  0.239200D+01 -0.119285D+01  0.435598D+01
                26            27            28            29            30 
      1   0.129273D+02 -0.248162D+01  0.615251D+00  0.926609D-02 -0.216986D+00
      2  -0.459342D+01  0.186741D+01 -0.163986D+01 -0.397494D+00  0.848183D+01
      3  -0.642261D+00  0.974009D+00  0.303578D+01 -0.376229D+01 -0.376862D+00
                31            32            33            34            35 
      1  -0.746265D+00 -0.127749D+01 -0.344231D+01 -0.318978D+01  0.166865D-01
      2   0.128420D+01 -0.626312D+00  0.243441D+01  0.329956D+01  0.329431D+01
      3   0.841534D+00 -0.224823D+02  0.939510D+00 -0.552658D+00  0.249575D+01
                36            37            38            39            40 
      1   0.690069D+00  0.102284D+00 -0.167090D+00  0.325522D+01  0.861584D-01
      2  -0.183464D+01 -0.250730D+01  0.119167D+01  0.583266D+01  0.305824D-01
      3   0.131621D+01 -0.388956D+01 -0.177895D+02 -0.931048D+00 -0.131883D+02
                41            42            43            44            45 
      1  -0.155615D+01 -0.435633D+01 -0.324428D+00  0.389763D+01 -0.139387D+01
      2  -0.529079D+00 -0.373250D+00 -0.874994D-01 -0.834519D+00 -0.187198D+01
      3  -0.587374D+01  0.669461D+00  0.339767D+00  0.265321D+01  0.138155D+01
                46            47            48            49            50 
      1  -0.120981D+01  0.176103D+00  0.238664D+01  0.484060D+00 -0.513198D+01
      2  -0.114276D+01  0.186752D+01  0.664349D+01  0.117483D+00 -0.292121D+01
      3   0.918528D-01 -0.591112D+01  0.776053D+00  0.534197D+01 -0.987266D+01
                51            52            53            54            55 
      1   0.122521D+01  0.140163D+01  0.105868D+02  0.617644D+01 -0.369886D+00
      2   0.226040D+01 -0.107769D+01  0.421733D+01  0.430657D+01  0.582768D+00
      3   0.174772D+01  0.124062D+01  0.288342D+01 -0.535646D+01 -0.827336D+01
                56            57            58            59            60 
      1  -0.976307D+00  0.201892D+01  0.518852D+00  0.114538D+01 -0.112561D+02
      2   0.932765D+00  0.421175D+01 -0.498403D+00 -0.134998D+01 -0.144920D+01
      3   0.315860D+00 -0.628923D+00  0.177360D+02 -0.713646D+01  0.524961D+00
                61            62            63            64            65 
      1  -0.971741D+00 -0.168383D+01  0.184624D+01  0.349057D+00 -0.316905D+00
      2  -0.207138D+01  0.384307D+01 -0.427444D+00  0.121505D+01  0.225983D+00
      3  -0.287993D+01 -0.376559D+00 -0.372273D+01  0.818438D+00 -0.358062D+00
                66            67            68            69            70 
      1  -0.317091D+00  0.311259D+00 -0.460783D+00 -0.109442D+00 -0.743400D+00
      2   0.105946D+01 -0.441179D-05 -0.294955D+00 -0.480473D+00 -0.208108D+01
      3  -0.780812D+00  0.166912D+01 -0.245072D+00  0.930635D-01 -0.693218D+00
                71            72            73            74            75 
      1   0.261744D+01  0.419123D+01  0.168502D+01  0.147094D+01 -0.123694D+01
      2   0.506627D+00 -0.662052D+00 -0.125380D+01 -0.805984D+00  0.193876D+01
      3   0.321351D+00  0.749497D-01  0.925432D-01 -0.356835D+01 -0.346095D+00
                76            77            78            79            80 
      1   0.108403D+01  0.313109D+01 -0.335511D+01 -0.645948D+00 -0.489465D+00
      2  -0.275445D+00 -0.135151D+01  0.216475D+01  0.150411D+00  0.137597D+01
      3   0.425251D+00 -0.840559D+01  0.109706D+01 -0.128133D+01  0.174953D+01
                81            82            83            84            85 
      1   0.258289D+00 -0.549836D+00  0.361648D-01  0.871991D+00  0.207534D+00
      2   0.120097D+00  0.269836D+01 -0.941076D+00 -0.108419D+01 -0.190021D+00
      3  -0.827270D+00 -0.144646D+01 -0.626772D+00  0.126769D+01 -0.654187D-01
                86            87            88            89            90 
      1  -0.609991D+00  0.236460D+00 -0.125826D+00  0.363291D+01 -0.781896D+01
      2   0.137214D+01 -0.355083D+00 -0.482313D+01  0.181925D+01  0.132832D+02
      3  -0.115749D+00 -0.132729D+01  0.176119D+01 -0.255729D+01 -0.214077D+01
                91            92            93            94            95 
      1   0.389043D+00  0.208773D+00  0.115840D+01  0.162141D+00  0.151567D+01
      2   0.668247D-02 -0.134518D+00  0.113326D+01 -0.354943D+00  0.215502D+00
      3  -0.555690D+00 -0.348111D+01 -0.204444D+00  0.208946D+00  0.245658D+02
                96            97            98            99           100 
      1   0.123895D+01  0.618183D+00  0.273389D+01 -0.101401D-01 -0.498596D+00
      2  -0.232488D+01 -0.120231D+00 -0.119605D+01  0.342340D+00 -0.126076D+01
      3  -0.654705D+00  0.981166D-01 -0.177774D+01 -0.449575D+00 -0.791673D+00
               101           102           103           104           105 
      1   0.294393D+00 -0.896757D+00  0.309843D+00 -0.236103D+01 -0.403846D+01
      2  -0.459872D-01 -0.494543D+00 -0.149015D-01 -0.194905D+01 -0.204218D+01
      3  -0.677463D+00  0.370926D+00  0.687234D+00  0.213913D+01  0.144103D+01
               106           107           108           109           110 
      1  -0.276060D+00 -0.395540D+01 -0.119241D+02 -0.279466D-01  0.422550D+00
      2  -0.325183D+01 -0.312314D+01 -0.666916D+01  0.467452D+00  0.520716D+00
      3   0.364892D+01  0.235639D+01  0.309549D+01 -0.262016D+00  0.821877D+00
               111           112           113           114           115 
      1  -0.116134D+01 -0.616432D-01  0.392388D+01 -0.502399D+01 -0.273144D+00
      2  -0.373667D+00  0.907377D+00  0.335258D+01 -0.207431D+01 -0.130789D+01
      3  -0.794943D+00  0.435649D+01  0.926060D+01 -0.274680D+01 -0.344620D+01
               116           117           118           119           120 
      1  -0.364037D+01  0.409669D+01  0.332821D+00  0.425271D+00  0.472029D-01
      2  -0.311018D+01  0.169785D+01 -0.217025D+00 -0.395585D+00 -0.117650D+01
      3  -0.546059D+01  0.289752D+01  0.972533D+01  0.816386D+01  0.154272D+00
               121           122           123           124           125 
      1   0.768982D+00  0.137605D+01 -0.121749D+01  0.497483D+00 -0.282851D-01
      2  -0.131938D+00 -0.668612D+00 -0.264825D+01 -0.984246D+00 -0.696697D+00
      3   0.108207D+02  0.156726D+02  0.378676D+00 -0.100143D+01 -0.103201D+01
               126 
      1  -0.280610D+00
      2  -0.586766D+00
      3   0.330116D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.181401D+01  0.656883D+00 -0.241026D+01  0.811815D+01 -0.535545D+01
      2  -0.309309D+01 -0.517039D+01 -0.384313D+01 -0.119722D+02 -0.103611D+02
      3   0.490709D+01  0.451351D+01  0.625339D+01  0.385408D+01  0.157166D+02
      4   0.257147D+01 -0.113766D+02  0.536574D+01 -0.195467D+02 -0.202370D+02
      5   0.756297D+01  0.142333D+01  0.212692D+01 -0.243444D+01  0.209945D+01
      6   0.353456D+01  0.367416D+01  0.705403D+01 -0.608898D+00 -0.774300D+00
                 6             7             8             9            10 
      1   0.193679D+01  0.571824D+01  0.263683D+01  0.163208D+02 -0.423926D+01
      2   0.413150D+01 -0.439307D+01  0.107775D+01  0.641236D+01  0.401119D+01
      3  -0.606829D+01 -0.132517D+01 -0.371458D+01 -0.227332D+02  0.228072D+00
      4   0.164592D+01  0.865288D+00  0.430169D+01 -0.312367D+01 -0.355938D+00
      5   0.300532D+01  0.288524D+01 -0.200880D+01 -0.169255D+02 -0.235733D+01
      6  -0.388357D+01  0.248631D+01 -0.924887D+00 -0.108302D+02 -0.248587D+01
                11            12            13            14            15 
      1  -0.667781D+01 -0.661229D+00  0.233294D+01 -0.702680D+00  0.135596D+01
      2   0.119536D+02 -0.108777D+00  0.224513D+01  0.204999D+01 -0.296805D-01
      3  -0.527577D+01  0.770006D+00 -0.457807D+01 -0.134731D+01 -0.132628D+01
      4  -0.307731D+01 -0.308592D+01 -0.400368D+01  0.876247D+01  0.977644D+00
      5  -0.924453D+00 -0.147551D+01  0.108798D+01  0.141366D+01  0.317525D+01
      6  -0.112479D+01 -0.154635D+01  0.295142D-01 -0.257910D+00  0.128253D+00
                16            17            18            19            20 
      1  -0.146391D+01 -0.106544D+01  0.633407D+01 -0.179228D+02 -0.780563D+01
      2  -0.103949D+01 -0.455210D+01  0.100581D+02  0.111750D+02  0.109258D+02
      3   0.250340D+01  0.561754D+01 -0.163922D+02  0.674785D+01 -0.312013D+01
      4  -0.445228D+01 -0.744077D+00 -0.249104D+01  0.694313D+00  0.512351D+00
      5  -0.829098D+00 -0.134871D+01  0.592386D+01  0.138412D+01 -0.123273D+01
      6  -0.316450D+01  0.556523D-01  0.884595D+01  0.102893D+00 -0.739942D+00
                21            22            23            24            25 
      1   0.126565D+01  0.289254D+01  0.227256D+02 -0.237892D+01  0.132311D+01
      2  -0.196433D+01 -0.131183D+01 -0.319738D+02 -0.360234D+00 -0.129376D+01
      3   0.698672D+00 -0.158072D+01  0.924817D+01  0.273915D+01 -0.293497D-01
      4  -0.358062D+00 -0.954896D+01  0.337958D+01 -0.371115D+00  0.365673D+01
      5  -0.106022D+02 -0.761710D+00 -0.123193D+01  0.262780D+01  0.368023D+01
      6   0.443499D+01 -0.389228D+00 -0.371962D+00 -0.981378D+01 -0.296140D+00
                26            27            28            29            30 
      1  -0.519290D+01 -0.405577D+01  0.458708D+02  0.401557D+01 -0.158552D+01
      2   0.487477D+01 -0.734832D+01 -0.281911D+02 -0.197494D+01  0.166237D+01
      3   0.318128D+00  0.114041D+02 -0.176797D+02 -0.204063D+01 -0.768529D-01
      4   0.131943D+01  0.807427D+00  0.116060D+02  0.797810D+01  0.835990D+00
      5  -0.137616D+01  0.211669D+01 -0.204957D+01  0.967117D+00  0.161464D+02
      6   0.246011D+01  0.297055D+01  0.715078D+00  0.797964D+00  0.742901D+00
                31            32            33            34            35 
      1   0.121148D+02  0.515686D+01  0.557767D+00 -0.223015D+01  0.937531D+00
      2  -0.700952D+01 -0.969270D+00 -0.109963D+00  0.237272D+01  0.376949D+00
      3  -0.510532D+01 -0.418759D+01 -0.447804D+00 -0.142576D+00 -0.131448D+01
      4   0.158573D+02  0.178377D+02 -0.825786D+00 -0.558524D+00 -0.137019D+01
      5   0.115112D+00 -0.138240D+01  0.276848D+01  0.145604D+02  0.137428D+01
      6  -0.217465D+00 -0.628261D+00  0.612939D+01  0.393036D+01  0.475450D+01
                36            37            38            39            40 
      1   0.559731D+01  0.441215D+02 -0.482692D+01 -0.154773D+01 -0.213299D+01
      2  -0.788683D+01 -0.273514D+02 -0.525714D+00  0.384185D+01 -0.396965D+00
      3   0.228952D+01 -0.167701D+02  0.535263D+01 -0.229412D+01  0.252996D+01
      4   0.390380D+01 -0.117352D+02  0.150425D+02 -0.686873D+00  0.168291D+02
      5  -0.340080D+01 -0.558683D+01 -0.177409D-01  0.108435D+02  0.977322D+00
      6  -0.984706D+00 -0.515008D+00 -0.117855D+01 -0.417826D+01 -0.308626D-01
                41            42            43            44            45 
      1   0.106468D+02 -0.405975D+01 -0.712819D+01  0.341236D+00  0.179128D+01
      2  -0.317072D+01 -0.675609D+00  0.562155D+01  0.818376D+00 -0.772258D+01
      3  -0.747613D+01  0.473536D+01  0.150664D+01 -0.115961D+01  0.593130D+01
      4   0.859908D+00 -0.112343D+01  0.293440D+01 -0.311159D+01 -0.268102D+01
      5  -0.203335D+01 -0.107636D+01  0.124204D+02 -0.441714D+01 -0.437412D+01
      6   0.223675D+01  0.865173D+01 -0.225551D+01  0.465924D+01  0.235467D+01
                46            47            48            49            50 
      1   0.356032D+01  0.799708D+01 -0.176836D+01  0.111057D+01  0.121998D+02
      2   0.517629D+01 -0.142712D+02  0.151977D+01 -0.638331D+01 -0.131688D+02
      3  -0.873661D+01  0.627407D+01  0.248585D+00  0.527274D+01  0.969008D+00
      4  -0.520875D+01  0.179893D+02  0.202948D+01  0.157788D+02 -0.684548D+01
      5  -0.428021D+00  0.101730D+01  0.720171D+01 -0.268699D+00 -0.288721D+01
      6   0.203115D+01  0.168450D+01 -0.538400D+01  0.872801D+00  0.769638D+01
                51            52            53            54            55 
      1  -0.156997D+01 -0.243595D+01 -0.236352D+01  0.118985D+02  0.915775D+00
      2   0.644952D+01  0.171147D+01  0.848887D+01 -0.130828D+02  0.375072D+01
      3  -0.487955D+01  0.724481D+00 -0.612536D+01  0.118428D+01 -0.466650D+01
      4  -0.130308D+01  0.721278D+00 -0.215258D+01 -0.853988D+00 -0.682886D+01
      5   0.186970D+01  0.577858D+01  0.443509D+01  0.449181D+01  0.376692D-02
      6  -0.813135D+01 -0.274011D+01 -0.122971D+02 -0.130756D+02 -0.449730D+00
                56            57            58            59            60 
      1   0.755722D+01 -0.953268D+00  0.531105D+01 -0.397069D+02  0.891271D+00
      2  -0.112357D+02  0.550931D+00 -0.651579D+01  0.590978D+02 -0.235428D+00
      3   0.367849D+01  0.402336D+00  0.120474D+01 -0.193909D+02 -0.655843D+00
      4   0.130422D+02 -0.554489D+00  0.169038D+02  0.179748D+01  0.148707D+00
      5  -0.314921D+00  0.618985D+01 -0.275241D+00  0.589389D+00 -0.109403D+01
      6   0.704285D+00 -0.405258D+01  0.417955D+00 -0.186903D+00  0.176770D+02
                61            62            63            64            65 
      1  -0.104296D-01  0.312656D+01 -0.989241D+01  0.679160D+00  0.733819D+00
      2   0.312916D+00 -0.240918D+01  0.761255D+01 -0.435438D+01 -0.109160D+01
      3  -0.302487D+00 -0.717378D+00  0.227986D+01  0.367522D+01  0.357783D+00
      4  -0.162185D+01 -0.150000D+00  0.555763D+00  0.106472D+01  0.193699D+01
      5   0.325835D+01  0.284863D+01 -0.560100D-01 -0.131921D+01 -0.331039D+00
      6  -0.307847D+01  0.159343D+02 -0.287258D+01 -0.154302D+01 -0.347627D+00
                66            67            68            69            70 
      1   0.893918D+00  0.412695D+00 -0.340059D+01  0.186664D+00  0.441395D+00
      2   0.175034D+01  0.232773D+00  0.500775D+00 -0.142799D+01  0.241983D+01
      3  -0.264426D+01 -0.645468D+00  0.289981D+01  0.124133D+01 -0.286123D+01
      4  -0.127091D+01  0.223407D+01  0.186545D+00 -0.640551D+00 -0.126908D+01
      5   0.692671D+01 -0.145184D+00 -0.129074D+01 -0.487040D+00  0.466220D+01
      6   0.146263D+01 -0.920458D+00 -0.931178D+00  0.640565D+01  0.123680D+01
                71            72            73            74            75 
      1   0.266012D+01 -0.162560D+02  0.107799D+02  0.562927D+01 -0.144384D+01
      2  -0.201135D+00 -0.164003D+02 -0.700231D+00  0.219668D+01 -0.707422D-01
      3  -0.245898D+01  0.326563D+02 -0.100797D+02 -0.782595D+01  0.151458D+01
      4   0.433291D+00  0.967783D+00  0.154133D+02  0.159103D+02 -0.138965D+01
      5   0.798855D+00 -0.478748D+01 -0.801568D+00 -0.270781D-01  0.308721D+01
      6   0.516752D+01 -0.114001D+02 -0.628104D+00 -0.216089D+00  0.175993D+01
                76            77            78            79            80 
      1   0.528026D+01 -0.282717D+01  0.517116D+00 -0.280399D+01  0.701617D+00
      2   0.518403D+01  0.209232D+02 -0.200758D+01  0.730544D+00 -0.302589D+01
      3  -0.104643D+02 -0.180960D+02  0.149047D+01  0.207345D+01  0.232427D+01
      4   0.202753D+02  0.314173D+02 -0.199050D+01 -0.329583D+01 -0.459076D+01
      5   0.582641D+00 -0.761435D+00  0.357540D+01  0.392922D+01  0.441080D+01
      6   0.983679D+00  0.165084D+00  0.433225D+01  0.267810D+01  0.494053D+01
                81            82            83            84            85 
      1  -0.142481D+01 -0.187417D+01  0.146496D+01  0.631760D+01 -0.159002D+01
      2   0.395169D+00 -0.153828D+01  0.382834D+00 -0.163095D+01  0.190035D+01
      3   0.102964D+01  0.341245D+01 -0.184780D+01 -0.468665D+01 -0.310324D+00
      4   0.511956D+01  0.194871D+00  0.272713D+01  0.262492D+00  0.316457D+01
      5  -0.533083D-01  0.216751D+01 -0.778982D-01  0.409374D+01 -0.102043D+00
      6  -0.104548D+01  0.886566D+00 -0.158513D+01 -0.235605D+01  0.975444D-01
                86            87            88            89            90 
      1  -0.182862D+01 -0.142905D+01  0.526740D+01 -0.408019D+01 -0.212126D+02
      2   0.798749D-01  0.183804D+01 -0.278756D+01  0.156055D+01 -0.156811D+02
      3   0.174875D+01 -0.408990D+00 -0.247984D+01  0.251965D+01  0.368936D+02
      4   0.244440D+01  0.259937D+01  0.118358D+01  0.349331D+01  0.423550D+01
      5   0.241929D+01 -0.977246D+00  0.576003D+01  0.245474D+01  0.227180D+02
      6   0.142827D+01  0.597671D+01  0.580153D-01  0.607210D+01  0.114993D+02
                91            92            93            94            95 
      1   0.133949D+02 -0.451881D+01  0.223310D+00 -0.167874D+02 -0.127354D+01
      2  -0.759148D+01  0.235178D+01 -0.118563D+00  0.112847D+02  0.160013D+01
      3  -0.580338D+01  0.216703D+01 -0.104747D+00  0.550275D+01 -0.326590D+00
      4  -0.806102D+01  0.356548D+01 -0.351299D+00 -0.112800D+01 -0.164173D+02
      5   0.160573D+00  0.959410D-02  0.257498D+01  0.519198D+00  0.935095D+00
      6  -0.225941D+00 -0.103406D+00 -0.168960D+01 -0.291179D+00  0.801659D+00
                96            97            98            99           100 
      1   0.284184D+00  0.114422D+01  0.374817D+00  0.206936D+01  0.191297D+01
      2  -0.348479D+00 -0.820707D+00 -0.519881D+00 -0.274788D+01 -0.194282D+01
      3   0.642955D-01 -0.323511D+00  0.145064D+00  0.678525D+00  0.298547D-01
      4   0.217299D+00  0.297031D+00  0.919838D+00 -0.166767D+01 -0.167651D+01
      5  -0.353881D+01  0.474225D+01 -0.101003D+01  0.399905D+00  0.217656D+00
      6  -0.210889D+01 -0.955066D+00  0.736354D+00  0.948573D-01  0.110626D+01
               101           102           103           104           105 
      1  -0.195174D+01 -0.106845D+01 -0.296549D+00 -0.842634D+01 -0.484538D+01
      2   0.214745D+01  0.618238D+00 -0.579096D-01  0.114826D+02  0.623959D+01
      3  -0.195710D+00  0.450214D+00  0.354459D+00 -0.305626D+01 -0.139422D+01
      4   0.141286D+01  0.157287D+01  0.214637D+01 -0.212867D+01 -0.133141D+01
      5   0.865350D+00  0.176927D+01  0.289378D+00 -0.153297D+01 -0.234579D+01
      6   0.126685D+01  0.198288D+01 -0.172123D+00  0.848174D+01  0.103951D+02
               106           107           108           109           110 
      1  -0.209246D+00 -0.109392D+02 -0.136496D+02  0.770872D+00 -0.327123D+01
      2  -0.304085D+00  0.106853D+02  0.476555D+01  0.263694D+00  0.487789D+01
      3   0.513331D+00  0.253883D+00  0.888404D+01 -0.103457D+01 -0.160666D+01
      4   0.438475D+01 -0.252716D+01 -0.162845D+01 -0.182653D+00  0.351434D+01
      5   0.190663D+01 -0.368520D+01 -0.752830D+01 -0.446062D-01 -0.957299D+00
      6  -0.437223D+00  0.152759D+02  0.259386D+02 -0.210304D+01 -0.233193D+01
               111           112           113           114           115 
      1   0.134569D+01 -0.160882D+01 -0.252227D+02  0.761403D+01  0.141600D+01
      2  -0.174791D+01  0.981704D+00  0.419867D+02 -0.122557D+02 -0.124701D+01
      3   0.402224D+00  0.627113D+00 -0.167640D+02  0.464170D+01 -0.168993D+00
      4  -0.170385D+01  0.469472D+01 -0.739779D+01  0.196635D+01 -0.258138D+01
      5   0.127092D+01 -0.275520D+00  0.351608D+01 -0.252039D+01  0.119578D+01
      6   0.251782D+01 -0.138322D-01 -0.163944D+02  0.115973D+02  0.319693D+00
               116           117           118           119           120 
      1   0.130028D+02 -0.900595D+01 -0.788457D+01 -0.259879D+01  0.845929D+00
      2  -0.176693D+02  0.950984D+01  0.625014D+01  0.123161D+01 -0.185836D+00
      3   0.466654D+01 -0.503885D+00  0.163443D+01  0.136717D+01 -0.660092D+00
      4   0.315348D+01 -0.155020D+01 -0.192803D+00 -0.360676D+01 -0.267902D+00
      5  -0.334622D+01  0.225679D+01  0.680605D+00 -0.191235D-02 -0.172927D+01
      6   0.154727D+02 -0.113873D+02 -0.425800D+00 -0.500280D+00 -0.748352D+00
               121           122           123           124           125 
      1  -0.133592D+02 -0.569894D+01  0.674210D+00  0.124477D+01 -0.405377D+00
      2   0.822277D+01  0.935026D+01 -0.677803D+00 -0.101007D+01  0.229904D+00
      3   0.513641D+01 -0.365133D+01  0.359301D-02 -0.234703D+00  0.175472D+00
      4   0.254688D+01 -0.163562D+02 -0.379336D+00 -0.264098D+00  0.102533D+01
      5   0.691207D+00  0.147077D+00 -0.498228D+01  0.225333D+01 -0.182722D+01
      6  -0.167364D+00 -0.867335D+00  0.106839D+01 -0.479343D+00  0.326388D+01
               126 
      1  -0.797005D+00
      2  -0.166740D+00
      3   0.963745D+00
      4  -0.159380D+01
      5  -0.119138D+01
      6   0.289625D+00
 Leave Link  716 at Thu Aug 12 20:24:31 2021, MaxMem=  5368709120 cpu:               0.1 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.662035D+02 -0.269709D+01 -0.409917D+00
      2  -0.269709D+01  0.655708D+02  0.397616D+00
      3  -0.409917D+00  0.397616D+00  0.484242D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.156007D+01 -0.241394D+01 -0.134451D+02
      2   0.739855D+00  0.261481D+01  0.855001D+01
      3   0.101058D+02  0.471425D+01 -0.132577D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.120143D+01 -0.206206D+02 -0.385762D+01
      2   0.350713D+01  0.295479D+02 -0.810514D+00
      3  -0.230570D+01 -0.892726D+01  0.466813D+01
      4   0.168407D+02  0.692301D+01  0.559175D+01
      5   0.327051D+01  0.427277D+01  0.161556D+02
      6   0.172487D+01  0.204318D+01  0.316614D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    42 ND12= 1 LenFil=    1515:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.312308D+01  0.103394D+01  0.166289D+01 -0.297034D+00 -0.498506D+01
      2   0.103394D+01 -0.223111D+01  0.734937D+00 -0.498506D+01 -0.428064D+01
      3   0.166289D+01  0.734937D+00  0.229741D+01 -0.138820D+00  0.714581D+00
                 6             7             8             9            10 
      1  -0.138820D+00  0.264268D+01  0.193816D+00  0.126618D+01 -0.370894D+01
      2   0.714581D+00  0.193816D+00  0.104929D+01 -0.115267D+01 -0.523503D+00
      3  -0.418324D+00  0.126618D+01 -0.115267D+01 -0.896497D+01 -0.115080D+01
                11            12            13            14            15 
      1  -0.523503D+00 -0.115080D+01 -0.129213D+01  0.335083D+01  0.219482D+00
      2   0.264107D+01 -0.342965D-01  0.335083D+01  0.134128D+01  0.871026D-02
      3  -0.342965D-01 -0.143146D+01  0.219482D+00  0.871026D-02  0.490693D+00
                16            17            18            19            20 
      1  -0.229367D+01  0.168574D+00 -0.120981D+01  0.116805D+01  0.111379D+00
      2   0.168574D+00  0.219589D+00 -0.330691D+00  0.111379D+00 -0.535435D+01
      3  -0.120981D+01 -0.330691D+00  0.701811D+01  0.266506D-01  0.612780D-01
                21            22            23            24            25 
      1   0.266506D-01  0.326960D+01 -0.325452D+01 -0.101777D+00 -0.736790D+00
      2   0.612780D-01 -0.325452D+01  0.364873D+01 -0.511001D+00 -0.246820D+00
      3  -0.779093D+00 -0.101777D+00 -0.511001D+00  0.329647D+00 -0.435940D+00
                26            27            28            29            30 
      1  -0.246820D+00 -0.435940D+00 -0.754295D+01 -0.941921D+00  0.262077D+00
      2   0.209481D+00  0.959945D-01 -0.941921D+00  0.894942D+00 -0.621596D-01
      3   0.959945D-01 -0.643534D+00  0.262077D+00 -0.621596D-01 -0.100499D+01
                31            32            33            34            35 
      1  -0.368316D+01 -0.202969D+01  0.128461D+00  0.120608D+01  0.445838D+00
      2  -0.202969D+01 -0.602850D+01  0.287995D+00  0.445838D+00  0.478469D+00
      3   0.128461D+00  0.287995D+00 -0.245044D+00 -0.215381D+01 -0.108847D+00
                36            37            38            39            40 
      1  -0.215381D+01  0.785533D+01 -0.228056D+01 -0.109133D+01  0.101182D+01
      2  -0.108847D+00 -0.228056D+01  0.273324D+01 -0.131418D+00  0.447356D+01
      3   0.528281D+00 -0.109133D+01 -0.131418D+00  0.310357D+00 -0.143963D+00
                41            42            43            44            45 
      1   0.447356D+01 -0.143963D+00 -0.177929D+01  0.563296D+00  0.128867D+01
      2   0.105996D+01 -0.122415D+00  0.563296D+00 -0.782656D+00 -0.614284D+00
      3  -0.122415D+00  0.109204D+01  0.128867D+01 -0.614284D+00 -0.255187D+00
                46            47            48            49            50 
      1  -0.212799D+01  0.252773D+01  0.590291D+00  0.200833D+01 -0.284837D+01
      2   0.252773D+01 -0.347322D+01  0.318532D+00 -0.284837D+01 -0.322252D+01
      3   0.590291D+00  0.318532D+00 -0.841090D+00  0.312034D+00  0.859742D+00
                51            52            53            54            55 
      1   0.312034D+00  0.452300D+00  0.373491D+00 -0.695196D+00  0.446269D+01
      2   0.859742D+00  0.373491D+00  0.111803D+01 -0.269078D+01 -0.234570D+01
      3  -0.243850D+01 -0.695196D+00 -0.269078D+01 -0.352156D+01  0.111165D+00
                56            57            58            59            60 
      1  -0.234570D+01  0.111165D+00 -0.490768D+01  0.234924D+01  0.880595D-02
      2   0.274128D+01 -0.151799D+00  0.234924D+01 -0.122032D+02  0.390081D+00
      3  -0.151799D+00  0.129852D+01  0.880595D-02  0.390081D+00 -0.203339D+01
                61            62            63            64            65 
      1   0.457294D+00 -0.171220D+00  0.100309D+01  0.138975D+01  0.340293D+00
      2  -0.171220D+00  0.416434D+00 -0.294281D+01  0.340293D+00 -0.119133D+00
      3   0.100309D+01 -0.294281D+01  0.693055D+00 -0.106063D+01  0.318978D-01
                66            67            68            69            70 
      1  -0.106063D+01  0.236422D+00 -0.528478D+00 -0.508464D-01 -0.136572D+01
      2   0.318978D-01 -0.528478D+00  0.311780D+00 -0.101773D+01 -0.303909D-01
      3   0.126657D+01 -0.508464D-01 -0.101773D+01  0.141702D+00  0.669661D+00
                71            72            73            74            75 
      1  -0.303909D-01  0.669661D+00  0.284211D+01  0.203913D+01 -0.510311D+00
      2  -0.181415D+01  0.738441D+00  0.203913D+01  0.237804D+01 -0.156116D+00
      3   0.738441D+00 -0.851061D+01 -0.510311D+00 -0.156116D+00  0.521507D+00
                76            77            78            79            80 
      1   0.319979D+01  0.340556D+01  0.184007D-01 -0.106871D+01 -0.377353D+00
      2   0.340556D+01  0.692174D+01 -0.491198D+00 -0.377353D+00 -0.126980D+01
      3   0.184007D-01 -0.491198D+00  0.799360D+00  0.652257D+00  0.105077D+01
                81            82            83            84            85 
      1   0.652257D+00 -0.666049D+00  0.214546D+00  0.114444D+01 -0.338853D+00
      2   0.105077D+01  0.214546D+00  0.743664D-01 -0.344719D+00  0.468356D+00
      3   0.321696D+00  0.114444D+01 -0.344719D+00 -0.128148D+01 -0.579438D-01
                86            87            88            89            90 
      1   0.468356D+00 -0.579438D-01  0.167805D+01 -0.333291D+00  0.117102D+00
      2   0.408044D+00  0.110894D+01 -0.333291D+00  0.137508D+01  0.103174D+01
      3   0.110894D+01 -0.316138D+00  0.117102D+00  0.103174D+01  0.964285D+01
                91            92            93            94            95 
      1  -0.333780D+01  0.828154D+00 -0.113288D+00  0.383744D+01  0.217449D+00
      2   0.828154D+00 -0.802169D+00  0.441536D-02  0.217449D+00  0.598948D+01
      3  -0.113288D+00  0.441536D-02 -0.830095D+00 -0.242304D+00 -0.179198D+00
                96            97            98            99           100 
      1  -0.242304D+00 -0.273667D+00 -0.114047D+00 -0.885615D+00 -0.462258D+00
      2  -0.179198D+00 -0.114047D+00 -0.434972D+00  0.128098D+00 -0.503565D-01
      3   0.475959D+00 -0.885615D+00  0.128098D+00 -0.163236D-01  0.229518D+00
               101           102           103           104           105 
      1  -0.503565D-01  0.229518D+00  0.106579D+00 -0.129513D+00 -0.163549D-01
      2   0.441552D+00  0.205051D+00 -0.129513D+00  0.236285D+01  0.149964D+01
      3   0.205051D+00  0.333315D+00 -0.163549D-01  0.149964D+01  0.152239D+01
               106           107           108           109           110 
      1   0.146138D+01 -0.384330D+00 -0.135103D+00 -0.391758D+00  0.378517D+00
      2  -0.384330D+00  0.322140D+01  0.291800D+01  0.378517D+00  0.891389D+00
      3  -0.135103D+00  0.291800D+01  0.596914D+01 -0.285395D+00 -0.306445D+00
               111           112           113           114           115 
      1  -0.285395D+00  0.886917D+00  0.125585D+00 -0.892921D-01 -0.956931D+00
      2  -0.306445D+00  0.125585D+00  0.842611D+01 -0.232541D+01 -0.229601D+00
      3   0.362388D+00 -0.892921D-01 -0.232541D+01  0.187702D+01  0.850939D-01
               116           117           118           119           120 
      1  -0.229601D+00  0.850939D-01 -0.260326D+01 -0.133165D+01  0.184729D+00
      2  -0.421746D+01  0.238210D+01 -0.133165D+01 -0.815893D+00 -0.169158D+00
      3   0.238210D+01 -0.201296D+01  0.184729D+00 -0.169158D+00 -0.221866D+00
               121           122           123           124           125 
      1  -0.403804D+01 -0.614953D+00  0.154120D+00  0.577001D+00  0.142038D+00
      2  -0.614953D+00 -0.473512D+01 -0.222742D+00  0.142038D+00  0.431261D+00
      3   0.154120D+00 -0.222742D+00 -0.127742D+01  0.433425D+00 -0.505063D+00
               126 
      1   0.433425D+00
      2  -0.505063D+00
      3  -0.247977D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.312297D+01 -0.291415D+01 -0.370921D+01 -0.235122D+01 -0.322762D+01
      2   0.409080D+01  0.160611D+01  0.358836D+01 -0.228320D+00  0.253342D+01
      3   0.488395D+01  0.471195D+01  0.873019D+00  0.110969D+02  0.613219D+00
                 6             7             8             9            10 
      1   0.410265D+00 -0.167660D+01  0.234288D+01  0.839753D+01  0.209524D+01
      2   0.123892D+01 -0.151990D+01 -0.162572D+01 -0.103429D+02 -0.721631D+00
      3  -0.171887D+01  0.204270D+01 -0.976771D+00  0.320233D+01 -0.301141D+01
                11            12            13            14            15 
      1  -0.364325D+00 -0.271801D+00 -0.270470D+01  0.101318D+01 -0.289256D+01
      2  -0.135072D+01  0.118900D+01  0.185185D+01  0.109997D+01  0.293893D+01
      3  -0.470017D+01 -0.118170D+01  0.432041D+00 -0.186040D+01  0.543462D+00
                16            17            18            19            20 
      1   0.109849D+01  0.382679D+01 -0.154847D+01  0.210330D+00  0.169532D+01
      2  -0.517457D+01  0.147179D+01  0.983073D+00 -0.522612D+00 -0.207450D+01
      3  -0.363253D+01  0.363587D+00 -0.775378D+00  0.931004D+00 -0.592368D+01
                21            22            23            24            25 
      1  -0.192825D+01  0.213561D+01  0.232091D+01  0.836840D+01  0.326240D+01
      2  -0.673720D+01 -0.249752D+01  0.111709D+01  0.710225D+00 -0.140535D+02
      3   0.160414D+01 -0.725949D+01  0.239200D+01 -0.119285D+01  0.435598D+01
                26            27            28            29            30 
      1   0.129273D+02 -0.248162D+01  0.615251D+00  0.926609D-02 -0.216986D+00
      2  -0.459342D+01  0.186741D+01 -0.163986D+01 -0.397494D+00  0.848183D+01
      3  -0.642261D+00  0.974009D+00  0.303578D+01 -0.376229D+01 -0.376862D+00
                31            32            33            34            35 
      1  -0.746265D+00 -0.127749D+01 -0.344231D+01 -0.318978D+01  0.166865D-01
      2   0.128420D+01 -0.626312D+00  0.243441D+01  0.329956D+01  0.329431D+01
      3   0.841534D+00 -0.224823D+02  0.939510D+00 -0.552658D+00  0.249575D+01
                36            37            38            39            40 
      1   0.690069D+00  0.102284D+00 -0.167090D+00  0.325522D+01  0.861584D-01
      2  -0.183464D+01 -0.250730D+01  0.119167D+01  0.583266D+01  0.305824D-01
      3   0.131621D+01 -0.388956D+01 -0.177895D+02 -0.931048D+00 -0.131883D+02
                41            42            43            44            45 
      1  -0.155615D+01 -0.435633D+01 -0.324428D+00  0.389763D+01 -0.139387D+01
      2  -0.529079D+00 -0.373250D+00 -0.874994D-01 -0.834519D+00 -0.187198D+01
      3  -0.587374D+01  0.669461D+00  0.339767D+00  0.265321D+01  0.138155D+01
                46            47            48            49            50 
      1  -0.120981D+01  0.176103D+00  0.238664D+01  0.484060D+00 -0.513198D+01
      2  -0.114276D+01  0.186752D+01  0.664349D+01  0.117483D+00 -0.292121D+01
      3   0.918528D-01 -0.591112D+01  0.776053D+00  0.534197D+01 -0.987266D+01
                51            52            53            54            55 
      1   0.122521D+01  0.140163D+01  0.105868D+02  0.617644D+01 -0.369886D+00
      2   0.226040D+01 -0.107769D+01  0.421733D+01  0.430657D+01  0.582768D+00
      3   0.174772D+01  0.124062D+01  0.288342D+01 -0.535646D+01 -0.827336D+01
                56            57            58            59            60 
      1  -0.976307D+00  0.201892D+01  0.518852D+00  0.114538D+01 -0.112561D+02
      2   0.932765D+00  0.421175D+01 -0.498403D+00 -0.134998D+01 -0.144920D+01
      3   0.315860D+00 -0.628923D+00  0.177360D+02 -0.713646D+01  0.524961D+00
                61            62            63            64            65 
      1  -0.971741D+00 -0.168383D+01  0.184624D+01  0.349057D+00 -0.316905D+00
      2  -0.207138D+01  0.384307D+01 -0.427444D+00  0.121505D+01  0.225983D+00
      3  -0.287993D+01 -0.376559D+00 -0.372273D+01  0.818438D+00 -0.358062D+00
                66            67            68            69            70 
      1  -0.317091D+00  0.311259D+00 -0.460783D+00 -0.109442D+00 -0.743400D+00
      2   0.105946D+01 -0.441179D-05 -0.294955D+00 -0.480473D+00 -0.208108D+01
      3  -0.780812D+00  0.166912D+01 -0.245072D+00  0.930635D-01 -0.693218D+00
                71            72            73            74            75 
      1   0.261744D+01  0.419123D+01  0.168502D+01  0.147094D+01 -0.123694D+01
      2   0.506627D+00 -0.662052D+00 -0.125380D+01 -0.805984D+00  0.193876D+01
      3   0.321351D+00  0.749497D-01  0.925432D-01 -0.356835D+01 -0.346095D+00
                76            77            78            79            80 
      1   0.108403D+01  0.313109D+01 -0.335511D+01 -0.645948D+00 -0.489465D+00
      2  -0.275445D+00 -0.135151D+01  0.216475D+01  0.150411D+00  0.137597D+01
      3   0.425251D+00 -0.840559D+01  0.109706D+01 -0.128133D+01  0.174953D+01
                81            82            83            84            85 
      1   0.258289D+00 -0.549836D+00  0.361648D-01  0.871991D+00  0.207534D+00
      2   0.120097D+00  0.269836D+01 -0.941076D+00 -0.108419D+01 -0.190021D+00
      3  -0.827270D+00 -0.144646D+01 -0.626772D+00  0.126769D+01 -0.654187D-01
                86            87            88            89            90 
      1  -0.609991D+00  0.236460D+00 -0.125826D+00  0.363291D+01 -0.781896D+01
      2   0.137214D+01 -0.355083D+00 -0.482313D+01  0.181925D+01  0.132832D+02
      3  -0.115749D+00 -0.132729D+01  0.176119D+01 -0.255729D+01 -0.214077D+01
                91            92            93            94            95 
      1   0.389043D+00  0.208773D+00  0.115840D+01  0.162141D+00  0.151567D+01
      2   0.668247D-02 -0.134518D+00  0.113326D+01 -0.354943D+00  0.215502D+00
      3  -0.555690D+00 -0.348111D+01 -0.204444D+00  0.208946D+00  0.245658D+02
                96            97            98            99           100 
      1   0.123895D+01  0.618183D+00  0.273389D+01 -0.101401D-01 -0.498596D+00
      2  -0.232488D+01 -0.120231D+00 -0.119605D+01  0.342340D+00 -0.126076D+01
      3  -0.654705D+00  0.981166D-01 -0.177774D+01 -0.449575D+00 -0.791673D+00
               101           102           103           104           105 
      1   0.294393D+00 -0.896757D+00  0.309843D+00 -0.236103D+01 -0.403846D+01
      2  -0.459872D-01 -0.494543D+00 -0.149015D-01 -0.194905D+01 -0.204218D+01
      3  -0.677463D+00  0.370926D+00  0.687234D+00  0.213913D+01  0.144103D+01
               106           107           108           109           110 
      1  -0.276060D+00 -0.395540D+01 -0.119241D+02 -0.279466D-01  0.422550D+00
      2  -0.325183D+01 -0.312314D+01 -0.666916D+01  0.467452D+00  0.520716D+00
      3   0.364892D+01  0.235639D+01  0.309549D+01 -0.262016D+00  0.821877D+00
               111           112           113           114           115 
      1  -0.116134D+01 -0.616432D-01  0.392388D+01 -0.502399D+01 -0.273144D+00
      2  -0.373667D+00  0.907377D+00  0.335258D+01 -0.207431D+01 -0.130789D+01
      3  -0.794943D+00  0.435649D+01  0.926060D+01 -0.274680D+01 -0.344620D+01
               116           117           118           119           120 
      1  -0.364037D+01  0.409669D+01  0.332821D+00  0.425271D+00  0.472029D-01
      2  -0.311018D+01  0.169785D+01 -0.217025D+00 -0.395585D+00 -0.117650D+01
      3  -0.546059D+01  0.289752D+01  0.972533D+01  0.816386D+01  0.154272D+00
               121           122           123           124           125 
      1   0.768982D+00  0.137605D+01 -0.121749D+01  0.497483D+00 -0.282851D-01
      2  -0.131938D+00 -0.668612D+00 -0.264825D+01 -0.984246D+00 -0.696697D+00
      3   0.108207D+02  0.156726D+02  0.378676D+00 -0.100143D+01 -0.103201D+01
               126 
      1  -0.280610D+00
      2  -0.586766D+00
      3   0.330116D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.181401D+01  0.656883D+00 -0.241026D+01  0.811815D+01 -0.535545D+01
      2  -0.309309D+01 -0.517039D+01 -0.384313D+01 -0.119722D+02 -0.103611D+02
      3   0.490709D+01  0.451351D+01  0.625339D+01  0.385408D+01  0.157166D+02
      4   0.257147D+01 -0.113766D+02  0.536574D+01 -0.195467D+02 -0.202370D+02
      5   0.756297D+01  0.142333D+01  0.212692D+01 -0.243444D+01  0.209945D+01
      6   0.353456D+01  0.367416D+01  0.705403D+01 -0.608898D+00 -0.774300D+00
                 6             7             8             9            10 
      1   0.193679D+01  0.571824D+01  0.263683D+01  0.163208D+02 -0.423926D+01
      2   0.413150D+01 -0.439307D+01  0.107775D+01  0.641236D+01  0.401119D+01
      3  -0.606829D+01 -0.132517D+01 -0.371458D+01 -0.227332D+02  0.228072D+00
      4   0.164592D+01  0.865288D+00  0.430169D+01 -0.312367D+01 -0.355938D+00
      5   0.300532D+01  0.288524D+01 -0.200880D+01 -0.169255D+02 -0.235733D+01
      6  -0.388357D+01  0.248631D+01 -0.924887D+00 -0.108302D+02 -0.248587D+01
                11            12            13            14            15 
      1  -0.667781D+01 -0.661229D+00  0.233294D+01 -0.702680D+00  0.135596D+01
      2   0.119536D+02 -0.108777D+00  0.224513D+01  0.204999D+01 -0.296805D-01
      3  -0.527577D+01  0.770006D+00 -0.457807D+01 -0.134731D+01 -0.132628D+01
      4  -0.307731D+01 -0.308592D+01 -0.400368D+01  0.876247D+01  0.977644D+00
      5  -0.924453D+00 -0.147551D+01  0.108798D+01  0.141366D+01  0.317525D+01
      6  -0.112479D+01 -0.154635D+01  0.295142D-01 -0.257910D+00  0.128253D+00
                16            17            18            19            20 
      1  -0.146391D+01 -0.106544D+01  0.633407D+01 -0.179228D+02 -0.780563D+01
      2  -0.103949D+01 -0.455210D+01  0.100581D+02  0.111750D+02  0.109258D+02
      3   0.250340D+01  0.561754D+01 -0.163922D+02  0.674785D+01 -0.312013D+01
      4  -0.445228D+01 -0.744077D+00 -0.249104D+01  0.694313D+00  0.512351D+00
      5  -0.829098D+00 -0.134871D+01  0.592386D+01  0.138412D+01 -0.123273D+01
      6  -0.316450D+01  0.556523D-01  0.884595D+01  0.102893D+00 -0.739942D+00
                21            22            23            24            25 
      1   0.126565D+01  0.289254D+01  0.227256D+02 -0.237892D+01  0.132311D+01
      2  -0.196433D+01 -0.131183D+01 -0.319738D+02 -0.360234D+00 -0.129376D+01
      3   0.698672D+00 -0.158072D+01  0.924817D+01  0.273915D+01 -0.293497D-01
      4  -0.358062D+00 -0.954896D+01  0.337958D+01 -0.371115D+00  0.365673D+01
      5  -0.106022D+02 -0.761710D+00 -0.123193D+01  0.262780D+01  0.368023D+01
      6   0.443499D+01 -0.389228D+00 -0.371962D+00 -0.981378D+01 -0.296140D+00
                26            27            28            29            30 
      1  -0.519290D+01 -0.405577D+01  0.458708D+02  0.401557D+01 -0.158552D+01
      2   0.487477D+01 -0.734832D+01 -0.281911D+02 -0.197494D+01  0.166237D+01
      3   0.318128D+00  0.114041D+02 -0.176797D+02 -0.204063D+01 -0.768529D-01
      4   0.131943D+01  0.807427D+00  0.116060D+02  0.797810D+01  0.835990D+00
      5  -0.137616D+01  0.211669D+01 -0.204957D+01  0.967117D+00  0.161464D+02
      6   0.246011D+01  0.297055D+01  0.715078D+00  0.797964D+00  0.742901D+00
                31            32            33            34            35 
      1   0.121148D+02  0.515686D+01  0.557767D+00 -0.223015D+01  0.937531D+00
      2  -0.700952D+01 -0.969270D+00 -0.109963D+00  0.237272D+01  0.376949D+00
      3  -0.510532D+01 -0.418759D+01 -0.447804D+00 -0.142576D+00 -0.131448D+01
      4   0.158573D+02  0.178377D+02 -0.825786D+00 -0.558524D+00 -0.137019D+01
      5   0.115112D+00 -0.138240D+01  0.276848D+01  0.145604D+02  0.137428D+01
      6  -0.217465D+00 -0.628261D+00  0.612939D+01  0.393036D+01  0.475450D+01
                36            37            38            39            40 
      1   0.559731D+01  0.441215D+02 -0.482692D+01 -0.154773D+01 -0.213299D+01
      2  -0.788683D+01 -0.273514D+02 -0.525714D+00  0.384185D+01 -0.396965D+00
      3   0.228952D+01 -0.167701D+02  0.535263D+01 -0.229412D+01  0.252996D+01
      4   0.390380D+01 -0.117352D+02  0.150425D+02 -0.686873D+00  0.168291D+02
      5  -0.340080D+01 -0.558683D+01 -0.177409D-01  0.108435D+02  0.977322D+00
      6  -0.984706D+00 -0.515008D+00 -0.117855D+01 -0.417826D+01 -0.308626D-01
                41            42            43            44            45 
      1   0.106468D+02 -0.405975D+01 -0.712819D+01  0.341236D+00  0.179128D+01
      2  -0.317072D+01 -0.675609D+00  0.562155D+01  0.818376D+00 -0.772258D+01
      3  -0.747613D+01  0.473536D+01  0.150664D+01 -0.115961D+01  0.593130D+01
      4   0.859908D+00 -0.112343D+01  0.293440D+01 -0.311159D+01 -0.268102D+01
      5  -0.203335D+01 -0.107636D+01  0.124204D+02 -0.441714D+01 -0.437412D+01
      6   0.223675D+01  0.865173D+01 -0.225551D+01  0.465924D+01  0.235467D+01
                46            47            48            49            50 
      1   0.356032D+01  0.799708D+01 -0.176836D+01  0.111057D+01  0.121998D+02
      2   0.517629D+01 -0.142712D+02  0.151977D+01 -0.638331D+01 -0.131688D+02
      3  -0.873661D+01  0.627407D+01  0.248585D+00  0.527274D+01  0.969008D+00
      4  -0.520875D+01  0.179893D+02  0.202948D+01  0.157788D+02 -0.684548D+01
      5  -0.428021D+00  0.101730D+01  0.720171D+01 -0.268699D+00 -0.288721D+01
      6   0.203115D+01  0.168450D+01 -0.538400D+01  0.872801D+00  0.769638D+01
                51            52            53            54            55 
      1  -0.156997D+01 -0.243595D+01 -0.236352D+01  0.118985D+02  0.915775D+00
      2   0.644952D+01  0.171147D+01  0.848887D+01 -0.130828D+02  0.375072D+01
      3  -0.487955D+01  0.724481D+00 -0.612536D+01  0.118428D+01 -0.466650D+01
      4  -0.130308D+01  0.721278D+00 -0.215258D+01 -0.853988D+00 -0.682886D+01
      5   0.186970D+01  0.577858D+01  0.443509D+01  0.449181D+01  0.376692D-02
      6  -0.813135D+01 -0.274011D+01 -0.122971D+02 -0.130756D+02 -0.449730D+00
                56            57            58            59            60 
      1   0.755722D+01 -0.953268D+00  0.531105D+01 -0.397069D+02  0.891271D+00
      2  -0.112357D+02  0.550931D+00 -0.651579D+01  0.590978D+02 -0.235428D+00
      3   0.367849D+01  0.402336D+00  0.120474D+01 -0.193909D+02 -0.655843D+00
      4   0.130422D+02 -0.554489D+00  0.169038D+02  0.179748D+01  0.148707D+00
      5  -0.314921D+00  0.618985D+01 -0.275241D+00  0.589389D+00 -0.109403D+01
      6   0.704285D+00 -0.405258D+01  0.417955D+00 -0.186903D+00  0.176770D+02
                61            62            63            64            65 
      1  -0.104296D-01  0.312656D+01 -0.989241D+01  0.679160D+00  0.733819D+00
      2   0.312916D+00 -0.240918D+01  0.761255D+01 -0.435438D+01 -0.109160D+01
      3  -0.302487D+00 -0.717378D+00  0.227986D+01  0.367522D+01  0.357783D+00
      4  -0.162185D+01 -0.150000D+00  0.555763D+00  0.106472D+01  0.193699D+01
      5   0.325835D+01  0.284863D+01 -0.560100D-01 -0.131921D+01 -0.331039D+00
      6  -0.307847D+01  0.159343D+02 -0.287258D+01 -0.154302D+01 -0.347627D+00
                66            67            68            69            70 
      1   0.893918D+00  0.412695D+00 -0.340059D+01  0.186664D+00  0.441395D+00
      2   0.175034D+01  0.232773D+00  0.500775D+00 -0.142799D+01  0.241983D+01
      3  -0.264426D+01 -0.645468D+00  0.289981D+01  0.124133D+01 -0.286123D+01
      4  -0.127091D+01  0.223407D+01  0.186545D+00 -0.640551D+00 -0.126908D+01
      5   0.692671D+01 -0.145184D+00 -0.129074D+01 -0.487040D+00  0.466220D+01
      6   0.146263D+01 -0.920458D+00 -0.931178D+00  0.640565D+01  0.123680D+01
                71            72            73            74            75 
      1   0.266012D+01 -0.162560D+02  0.107799D+02  0.562927D+01 -0.144384D+01
      2  -0.201135D+00 -0.164003D+02 -0.700231D+00  0.219668D+01 -0.707422D-01
      3  -0.245898D+01  0.326563D+02 -0.100797D+02 -0.782595D+01  0.151458D+01
      4   0.433291D+00  0.967783D+00  0.154133D+02  0.159103D+02 -0.138965D+01
      5   0.798855D+00 -0.478748D+01 -0.801568D+00 -0.270781D-01  0.308721D+01
      6   0.516752D+01 -0.114001D+02 -0.628104D+00 -0.216089D+00  0.175993D+01
                76            77            78            79            80 
      1   0.528026D+01 -0.282717D+01  0.517116D+00 -0.280399D+01  0.701617D+00
      2   0.518403D+01  0.209232D+02 -0.200758D+01  0.730544D+00 -0.302589D+01
      3  -0.104643D+02 -0.180960D+02  0.149047D+01  0.207345D+01  0.232427D+01
      4   0.202753D+02  0.314173D+02 -0.199050D+01 -0.329583D+01 -0.459076D+01
      5   0.582641D+00 -0.761435D+00  0.357540D+01  0.392922D+01  0.441080D+01
      6   0.983679D+00  0.165084D+00  0.433225D+01  0.267810D+01  0.494053D+01
                81            82            83            84            85 
      1  -0.142481D+01 -0.187417D+01  0.146496D+01  0.631760D+01 -0.159002D+01
      2   0.395169D+00 -0.153828D+01  0.382834D+00 -0.163095D+01  0.190035D+01
      3   0.102964D+01  0.341245D+01 -0.184780D+01 -0.468665D+01 -0.310324D+00
      4   0.511956D+01  0.194871D+00  0.272713D+01  0.262492D+00  0.316457D+01
      5  -0.533083D-01  0.216751D+01 -0.778982D-01  0.409374D+01 -0.102043D+00
      6  -0.104548D+01  0.886566D+00 -0.158513D+01 -0.235605D+01  0.975444D-01
                86            87            88            89            90 
      1  -0.182862D+01 -0.142905D+01  0.526740D+01 -0.408019D+01 -0.212126D+02
      2   0.798749D-01  0.183804D+01 -0.278756D+01  0.156055D+01 -0.156811D+02
      3   0.174875D+01 -0.408990D+00 -0.247984D+01  0.251965D+01  0.368936D+02
      4   0.244440D+01  0.259937D+01  0.118358D+01  0.349331D+01  0.423550D+01
      5   0.241929D+01 -0.977246D+00  0.576003D+01  0.245474D+01  0.227180D+02
      6   0.142827D+01  0.597671D+01  0.580153D-01  0.607210D+01  0.114993D+02
                91            92            93            94            95 
      1   0.133949D+02 -0.451881D+01  0.223310D+00 -0.167874D+02 -0.127354D+01
      2  -0.759148D+01  0.235178D+01 -0.118563D+00  0.112847D+02  0.160013D+01
      3  -0.580338D+01  0.216703D+01 -0.104747D+00  0.550275D+01 -0.326590D+00
      4  -0.806102D+01  0.356548D+01 -0.351299D+00 -0.112800D+01 -0.164173D+02
      5   0.160573D+00  0.959410D-02  0.257498D+01  0.519198D+00  0.935095D+00
      6  -0.225941D+00 -0.103406D+00 -0.168960D+01 -0.291179D+00  0.801659D+00
                96            97            98            99           100 
      1   0.284184D+00  0.114422D+01  0.374817D+00  0.206936D+01  0.191297D+01
      2  -0.348479D+00 -0.820707D+00 -0.519881D+00 -0.274788D+01 -0.194282D+01
      3   0.642955D-01 -0.323511D+00  0.145064D+00  0.678525D+00  0.298547D-01
      4   0.217299D+00  0.297031D+00  0.919838D+00 -0.166767D+01 -0.167651D+01
      5  -0.353881D+01  0.474225D+01 -0.101003D+01  0.399905D+00  0.217656D+00
      6  -0.210889D+01 -0.955066D+00  0.736354D+00  0.948573D-01  0.110626D+01
               101           102           103           104           105 
      1  -0.195174D+01 -0.106845D+01 -0.296549D+00 -0.842634D+01 -0.484538D+01
      2   0.214745D+01  0.618238D+00 -0.579096D-01  0.114826D+02  0.623959D+01
      3  -0.195710D+00  0.450214D+00  0.354459D+00 -0.305626D+01 -0.139422D+01
      4   0.141286D+01  0.157287D+01  0.214637D+01 -0.212867D+01 -0.133141D+01
      5   0.865350D+00  0.176927D+01  0.289378D+00 -0.153297D+01 -0.234579D+01
      6   0.126685D+01  0.198288D+01 -0.172123D+00  0.848174D+01  0.103951D+02
               106           107           108           109           110 
      1  -0.209246D+00 -0.109392D+02 -0.136496D+02  0.770872D+00 -0.327123D+01
      2  -0.304085D+00  0.106853D+02  0.476555D+01  0.263694D+00  0.487789D+01
      3   0.513331D+00  0.253883D+00  0.888404D+01 -0.103457D+01 -0.160666D+01
      4   0.438475D+01 -0.252716D+01 -0.162845D+01 -0.182653D+00  0.351434D+01
      5   0.190663D+01 -0.368520D+01 -0.752830D+01 -0.446062D-01 -0.957299D+00
      6  -0.437223D+00  0.152759D+02  0.259386D+02 -0.210304D+01 -0.233193D+01
               111           112           113           114           115 
      1   0.134569D+01 -0.160882D+01 -0.252227D+02  0.761403D+01  0.141600D+01
      2  -0.174791D+01  0.981704D+00  0.419867D+02 -0.122557D+02 -0.124701D+01
      3   0.402224D+00  0.627113D+00 -0.167640D+02  0.464170D+01 -0.168993D+00
      4  -0.170385D+01  0.469472D+01 -0.739779D+01  0.196635D+01 -0.258138D+01
      5   0.127092D+01 -0.275520D+00  0.351608D+01 -0.252039D+01  0.119578D+01
      6   0.251782D+01 -0.138322D-01 -0.163944D+02  0.115973D+02  0.319693D+00
               116           117           118           119           120 
      1   0.130028D+02 -0.900595D+01 -0.788457D+01 -0.259879D+01  0.845929D+00
      2  -0.176693D+02  0.950984D+01  0.625014D+01  0.123161D+01 -0.185836D+00
      3   0.466654D+01 -0.503885D+00  0.163443D+01  0.136717D+01 -0.660092D+00
      4   0.315348D+01 -0.155020D+01 -0.192803D+00 -0.360676D+01 -0.267902D+00
      5  -0.334622D+01  0.225679D+01  0.680605D+00 -0.191235D-02 -0.172927D+01
      6   0.154727D+02 -0.113873D+02 -0.425800D+00 -0.500280D+00 -0.748352D+00
               121           122           123           124           125 
      1  -0.133592D+02 -0.569894D+01  0.674210D+00  0.124477D+01 -0.405377D+00
      2   0.822277D+01  0.935026D+01 -0.677803D+00 -0.101007D+01  0.229904D+00
      3   0.513641D+01 -0.365133D+01  0.359301D-02 -0.234703D+00  0.175472D+00
      4   0.254688D+01 -0.163562D+02 -0.379336D+00 -0.264098D+00  0.102533D+01
      5   0.691207D+00  0.147077D+00 -0.498228D+01  0.225333D+01 -0.182722D+01
      6  -0.167364D+00 -0.867335D+00  0.106839D+01 -0.479343D+00  0.326388D+01
               126 
      1  -0.797005D+00
      2  -0.166740D+00
      3   0.963745D+00
      4  -0.159380D+01
      5  -0.119138D+01
      6   0.289625D+00

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.198323D+01      0.504088D+01      0.168146D+02
   x         -0.390960D+00     -0.993720D+00     -0.331469D+01
   y          0.194418D+01      0.494162D+01      0.164835D+02
   z          0.227264D-01      0.577646D-01      0.192682D+00

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.547268D+02      0.810968D+01      0.902323D+01
   aniso      0.169324D+02      0.250912D+01      0.279177D+01
   xx         0.601322D+02      0.891067D+01      0.991446D+01
   yx        -0.253902D+01     -0.376243D+00     -0.418627D+00
   yy         0.602054D+02      0.892151D+01      0.992652D+01
   zx        -0.455055D+00     -0.674321D-01     -0.750284D-01
   zy         0.262462D+00      0.388928D-01      0.432741D-01
   zz         0.438429D+02      0.649685D+01      0.722872D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.600662D+02      0.890089D+01      0.990358D+01
   aniso      0.181123D+02      0.268397D+01      0.298632D+01
   xx         0.662035D+02      0.981035D+01      0.109155D+02
   yx        -0.269709D+01     -0.399667D+00     -0.444689D+00
   yy         0.655708D+02      0.971659D+01      0.108112D+02
   zx        -0.409917D+00     -0.607434D-01     -0.675861D-01
   zy         0.397616D+00      0.589206D-01      0.655580D-01
   zz         0.484242D+02      0.717573D+01      0.798408D+01

 ----------------------------------------------------------------------

 Dipole orientation:
     6          2.88758838         -0.04873937          0.60878486
     6          0.13134855          0.70920869          1.10429614
     6         -1.59976404         -0.25064167         -1.01865767
     8         -3.88545884         -0.96728290         -0.24887032
     8          3.87537404          1.04517558         -1.60149348
     7         -0.86548230         -0.12399515          3.55096411
     8         -0.96056605         -0.32831644         -3.20653688
     1          0.01835313          2.77115470          1.02394158
     1          4.04378731          0.60905830          2.18617115
     1          3.00934959         -2.12538414          0.56091907
     1         -3.85292632         -0.80126631          1.60414851
     1         -0.12026323         -1.81257494          4.07002183
     1         -0.49306375          1.13378119          4.93984754
     1          2.70331611          0.63760943         -2.95313765

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.198323D+01      0.504088D+01      0.168146D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.198323D+01      0.504088D+01      0.168146D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.547268D+02      0.810968D+01      0.902323D+01
   aniso      0.169324D+02      0.250912D+01      0.279177D+01
   xx         0.584162D+02      0.865638D+01      0.963153D+01
   yx         0.329939D+01      0.488919D+00      0.543996D+00
   yy         0.445747D+02      0.660528D+01      0.734937D+01
   zx        -0.225689D+01     -0.334437D+00     -0.372111D+00
   zy        -0.605039D+00     -0.896576D-01     -0.997575D-01
   zz         0.611897D+02      0.906737D+01      0.100888D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.600662D+02      0.890089D+01      0.990358D+01
   aniso      0.181123D+02      0.268397D+01      0.298632D+01
   xx         0.643730D+02      0.953910D+01      0.106137D+02
   yx         0.350242D+01      0.519005D+00      0.577471D+00
   yy         0.491792D+02      0.728760D+01      0.810855D+01
   zx        -0.251036D+01     -0.371997D+00     -0.413902D+00
   zy        -0.771854D+00     -0.114377D+00     -0.127261D+00
   zz         0.666464D+02      0.987597D+01      0.109885D+02

 ----------------------------------------------------------------------
 1\1\GINC-CPN-U24-38\Freq\RB3LYP\Gen\C3H7N1O3\PIERPA\12-Aug-2021\0\\#P 
 B3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoSymm
 ,MaxCyc=120) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq\\ROA calculat
 ions.\\0,1\C,1.400902,0.606476,0.330203\C,0.023343,0.604862,-0.347509\
 C,-0.73311,-0.696797,-0.043039\O,-2.048935,-0.547476,0.094953\O,2.2447
 05,-0.411378,-0.147633\N,-0.823363,1.751312,-0.004429\O,-0.187475,-1.7
 692,0.050668\H,0.182702,0.606179,-1.429434\H,1.891186,1.559018,0.11914
 3\H,1.257893,0.539142,1.41989\H,-2.208899,0.421463,0.023461\H,-0.66903
 3,2.051352,0.952422\H,-0.651577,2.542659,-0.609638\H,1.748102,-1.24181
 3,-0.066668\\Version=ES64L-G16RevA.03\State=1-A\HF=-399.1561993\RMSD=8
 .186e-09\RMSF=3.314e-05\ZeroPoint=0.1139143\Thermal=0.1211396\Dipole=-
 0.3909596,1.9441833,0.0227264\DipoleDeriv=0.5240768,-0.1452984,-0.0997
 982,-0.213673,0.4969457,0.117846,-0.059239,0.1189806,0.4385327,0.08185
 73,-0.1486668,0.0508929,-0.2735032,0.2814272,0.0723611,-0.0401555,0.15
 14376,0.1364058,1.5900068,-0.366387,-0.0977104,-0.2574359,1.29896,-0.1
 158384,-0.1539074,-0.1548347,0.2659913,-1.2926533,0.2782047,0.0438352,
 -0.0250233,-0.6392118,0.0011414,0.1234798,0.0124881,-0.3180036,-0.7325
 348,0.24235,0.0157953,0.2587056,-0.7035876,-0.1331282,0.0242618,-0.112
 0545,-0.5092929,-0.6767038,0.0766615,-0.0208887,0.0853447,-0.5803175,-
 0.0178285,0.0073691,-0.0431132,-0.1973387,-0.8033873,0.1261307,-0.0010
 849,0.3264881,-1.1066212,0.0435304,-0.016577,0.0859014,-0.3589358,0.04
 8584,0.0193045,0.0005308,0.0021869,-0.000351,-0.0021206,-0.0032484,-0.
 0197478,-0.0551011,-0.0153113,-0.0695876,0.0039126,-0.0580135,-0.12842
 49,0.0095149,0.0157021,0.0485308,0.0395163,-0.0293873,0.0430949,0.0727
 96,0.0235338,0.010575,0.0043244,0.0421201,-0.0553193,-0.2067933,0.3933
 946,0.0864131,0.0005025,0.0892736,0.5299058,0.0031294,-0.0013569,-0.00
 4534,0.2615883,0.2478399,-0.030796,-0.0919566,0.0214021,0.1334298,-0.0
 001858,-0.0339453,-0.030404,0.0767609,0.2210711,-0.1014082,0.0800328,-
 0.0096718,0.0853879,0.0096356,0.050948,0.0012238,0.1539721,0.4431472,-
 0.0100154,0.0431406,0.030386,0.3218826,0.0076183,0.0445488,0.0014452,0
 .2726979\Polar=60.1322113,-2.5390154,60.2053585,-0.4550546,0.2624616,4
 3.8429111\Quadrupole=-5.0948136,2.0746096,3.020204,-1.7922056,0.904747
 8,0.2773672\PG=C01 [X(C3H7N1O3)]\NImag=0\\0.45769071,0.06525472,0.5815
 6906,-0.03362981,-0.02172883,0.54336037,-0.13172550,-0.02159194,-0.044
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 REFRAIN FROM ILLUSIONS, INSIST ON WORK AND NOT WORDS,
 PATIENTLY SEEK DIVINE AND SCIENTIFIC TRUTH.
 LAST WORDS OF MARIA MENDELEEVA TO HER SON DMITRI, C. 1850
 Job cpu time:       0 days  0 hours 27 minutes  2.3 seconds.
 Elapsed time:       0 days  0 hours  3 minutes 23.8 seconds.
 File lengths (MBytes):  RWF=    129 Int=      0 D2E=      0 Chk=      6 Scr=      2
 Normal termination of Gaussian 16 at Thu Aug 12 20:24:31 2021.
